Rui Fausto Martins Ribeiro da Silva Lourenço
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Data da última atualização
»Last update
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16/07/2013 |
Dados pessoais (Personal data)
Nome completo
Full name |
Rui Fausto Martins Ribeiro da Silva Lourenço |
Nome em citações bibliográficas
Quoting name |
Lourenço, Rui Fausto Martins Ribeiro da Silva |
Domínio científico de atuação
Scientific domain |
Ciências Exactas-Química.
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Graus Académicos
(Academic Degrees)
| 2004 |
Agregação
Aggregation |
| Universidade de Coimbra,
Portugal.
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Produção científica, técnica e artística/cultural
(Scientific, technical and artistical/cultural
production)
Capítulos de livros publicados
Published book chapters |
| 1. |
Teixeira-Dias, J. J. C; Fausto, R.. 1993. a,ß-Unsaturated Carboxylic Esters and Their Hydrogen Bond Complexes with Substituted Phenols: Vibrational Spectra-Structure
Correlations. In Recent Experimental and Computational Advances in Molecular Spectroscopy, ed. R. Fausto, 131 - 134. ISBN: 978-94-010-4871-2. Dordrecht: Springer Netherlands.
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| 2. |
Arteca, G. A; Bottoni, A.; Duran, M.; Fausto, R.; Peterson, M. R; Thomas, H. D. 1991. Laboratory Projects in Computational Organic Chemistry. In Theoretical and Computational Models for Organic Chemistry, ed. Sebastião J. FormosinhoImre G. CsizmadiaLuís G. Arnaut, 411 - 428. ISBN: 978-94-010-5589-5. Dordrecht: Springer Netherlands.
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Artigos em revistas com arbitragem científica
Papers in periodics with scientific refereeing |
| 1. |
Alves, P.; Hugo, A. A; Tymczyszyn, E. E; Ferreira, A. F; Fausto, R.; Perez, P. F; Coelho, J. F. J; Simoes, P. N; Gomez-Zavaglia, A.. 2013. "Effect of cholesterol-poly(N,N-dimethylaminoethyl methacrylate) on the properties of stimuli-responsive polymer liposome complexes", Colloids and Surfaces B-Biointerfaces 104, .: 254 - 261.
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| 2. |
Borba, A.; Gomez-Zavaglia, A.; Fausto, R.. 2013. "Conformational Landscape, Photochemistry, and Infrared Spectra of Sulfanilamide", Journal of Physical Chemistry A 117, 4: 704 - 717.
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| 3. |
Cabral, L. I. L; Maria, T. M. R; Martelo, L.; Eusebio, M. E. S; Cristiano, M. L. S; Fausto, R.. 2013. "The thermal sigmatropic isomerization of pseudosaccharyl crotyl ether", Tetrahedron 69, 2: 810 - 815.
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| 4. |
Duarte, L. F; Reva, I.; Cristiano, M. L. S; Fausto, R.. 2013. "Photoisomerization of Saccharin", Journal of Organic Chemistry 78, 7: 3271 - 3275.
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| 5. |
Ismael, A.; Gomez-Zavaglia, A.; Borba, A.; Cristiano, M. L. S; Fausto, R.. 2013. "Amino -> Imino Tautomerization upon in Vacuo Sublimation of 2-Methyltetrazole-Saccharinate as Probed by Matrix Isolation Infrared
Spectroscopy", Journal of Physical Chemistry A 117, 15: 3190 - 3197.
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| 6. |
Ildiz, G. O; Nunes, C. M; Fausto, R.. 2013. "Matrix Isolation Infrared Spectra and Photochemistry of Hydantoin", Journal of Physical Chemistry A 117, 4: 726 - 734.
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| 7. |
Kaczor, A.; Reva, I.; Fausto, R.. 2013. "Influence of Cage Confinement on the Photochemistry of Matrix-Isolated E-beta-Ionone: FT-IR and DFT Study", Journal of Physical Chemistry A 117, 5: 888 - 897.
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| 8. |
Kus, N.; Sharma, A.; Pena, I.; Bermudez, M. C; Cabezas, C.; Alonso, J. L; Fausto, R.. 2013. "Conformers of beta-aminoisobutyric acid probed by jet-cooled microwave and matrix isolation infrared spectroscopic techniques", Journal of Chemical Physics 138, 14: 144305 - ..
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| 9. |
Nunes, C. M; Lapinski, L.; Fausto, R.; Reva, I.. 2013. "Near-IR laser generation of a high-energy conformer of L-alanine and the mechanism of its decay in a low-temperature nitrogen
matrix", Journal of Chemical Physics 138, 12: 12501 - ..
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| 10. |
Cabezas, Carlos; Simão, A.; Bermúdez, Celina; Varela, Marcelino; Peña, Isabel; Mata, Santiago; Fausto, R.; Alonso, José L. 2013. "Conformational Analysis of Octopamine and Synephrine in the Gas Phase", The Journal of Physical Chemistry A 117, 23: 4907 - 4915.
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| 11. |
Lapinski, L.; Reva, I.; Rostkowska, Hanna; Halasa, Anna; Fausto, R.; Nowak, Maciej J. 2013. "Conformational Transformation in Squaric Acid Induced by Near-IR Laser Light", The Journal of Physical Chemistry A 117, 25: 5251 - 5259.
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| 12. |
Araujo-Andrade, C.; Giuliano, B. M; Gomez-Zavaglia, A.; Fausto, R.. 2012. "Structure and UV-induced photochemistry of 2-furaldehyde dimethylhydrazone isolated in rare gas matrices", Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 97, .: 830 - 837.
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| 13. |
Araujo-Andrade, C.; Gomez-Zavaglia, A.; Reva, I. D; Fausto, R.. 2012. "Conformers, Infrared Spectrum and UV-Induced Photochemistry of Matrix-Isolated Furfuryl Alcohol", Journal of Physical Chemistry A 116, 9: 2352 - 2365.
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| 14. |
Breda, S.; Reva, I.; Fausto, R.. 2012. "UV-Induced Unimolecular Photochemistry of Diketene Isolated in Cryogenic Inert Matrices", Journal of Physical Chemistry A 116, 9: 2131 - 2140.
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| 15. |
Fausto, R.; Lapinski, L.; Reva, I.. 2012. "Special issue: "Light-Induced Processes in Cryogenic Matrices" Preface", Journal of Molecular Structure 1025, .: 1 - 1.
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| 16. |
Fonseca, A. C; Jarmelo, S.; Canotilho, J.; Eusebio, M. E. S; Fausto, R.; Gil, M. H; Simoes, P. N. 2012. "Thermoanalytical study of N-alpha-benzoyl-L-argininate ethyl ester chloride", Thermochimica Acta 527, .: 83 - 90.
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| 17. |
Giuliano, B. M; Reva, I.; Lapinski, L.; Fausto, R.. 2012. "Infrared spectra and ultraviolet-tunable laser induced photochemistry of matrix-isolated phenol and phenol-d(5)", Journal of Chemical Physics 136, 2: 024505 - ..
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| 18. |
Ildiz, G. O; Nunes, C. M; Kus, N.; Fausto, R.. 2012. "FTIR investigation of the O-H...Xe interaction in simple carboxylic acids in solid xenon", Journal of Chemical Physics 137, 6: 064309 - ..
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| 19. |
Ismael, A.; Paixao, J. A; Fausto, R.; Cristiano, M. L. S. 2012. "Molecular structure of nitrogen-linked methyltetrazole-saccharinates", Journal of Molecular Structure 1023, .: 128 - 142.
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| 20. |
Jarmelo, S.; Marques, D. A. S; Simoes, P. N; Carvalho, R. A; Batista, Cmsg; Araujo-Andrade, C.; Gil, M. H; Fausto, R.. 2012. "Experimental (IR/Raman and H-1/C-13 NMR) and Theoretical (DFT) Studies of the Preferential Conformations Adopted by L-Lactic
Acid Oligomers and Poly(L-lactic acid) Homopolymer", Journal of Physical Chemistry B 116, 1: 9 - 21.
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| 21. |
Kus, N.; Sharma, A.; Reva, I.; Lapinski, L.; Fausto, R.. 2012. "Using heavy atom rare gas matrix to control the reactivity of 4-methoxybenzaldehyde: A comparison with benzaldehyde", Journal of Chemical Physics 136, 14: 144509 - ..
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| 22. |
Krupa, J.; Olbert-Maikut, A.; Reva, I.; Fausto, R.; Wierzejewska, M.. 2012. "Ultraviolet-Tunable Laser Induced Phototransformations of Matrix Isolated Isoeugenol and Eugenol", Journal of Physical Chemistry B 116, 36: 11148 - 11158.
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| 23. |
Kus, N.; Reva, I.; Bayari, S. H; Fausto, R.. 2012. "In situ photoproduction of dichlorodibenzo-p-dioxin from non-ionic triclosan isolated in solid argon", Journal of Molecular Structure 1007, .: 88 - 94.
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| 24. |
Nunes, C. M; Reva, I.; Melo, Tmvdpe; Fausto, R.. 2012. "UV-Laser Photochemistry of Isoxazole Isolated in a Low-Temperature Matrix", Journal of Organic Chemistry 77, 19: 8723 - 8732.
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| 25. |
Reva, I.; Nowak, M. J; Lapinski, L.; Fausto, R.. 2012. "Spontaneous tunneling and near-infrared-induced interconversion between the amino-hydroxy conformers of cytosine", Journal of Chemical Physics 136, 6: 064511 - ..
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| 26. |
Reva, I.; Nowak, M. J; Lapinski, L.; Fausto, R.. 2012. "UV-Induced Amino -> Imino Hydrogen-Atom Transfer in 1-Methylcytosine", Journal of Physical Chemistry B 116, 19: 5703 - 5710.
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| 27. |
Reva, I.; Almeida, Bjan; Lapinski, L.; Fausto, R.. 2012. "UV-induced photoisomerization of maleic hydrazide", Journal of Molecular Structure 1025, .: 74 - 83.
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| 28. |
Jarmelo, S.; Marques, D. A. S; Simões, P. N; Carvalho, R. A; Batista, C. M. S. G; Araujo-Andrade, C.; Gil, M. H; Fausto, R.. 2012. " Experimental (IR/Raman and 1 H/ 13 C NMR) and Theoretical
(DFT) Studies of the Preferential Conformations Adopted by l -Lactic Acid Oligomers and Poly(
l -lactic acid) Homopolymer ", The Journal of Physical Chemistry B 116, 1: 9 - 21.
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| 29. |
Fonseca, A. C; Jarmelo, S.; Silva, M. R; Beja, A. M. M; Fausto, R.; Gil, M. H; Simoes, P. N. 2011. "Study of N-alpha-benzoyl-L-argininate ethyl ester chloride, a model compound for poly(ester amide) precursors: X-ray diffraction,
infrared and Raman spectroscopies, and quantum chemistry calculations", Journal of Chemical Physics 134, 12: 124505 - ..
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| 30. |
Frija, L. M. T; Reva, I.; Ismael, A.; Coelho, D. V; Fausto, R.; Cristiano, M. L. S. 2011. "Sigmatropic rearrangements in 5-allyloxytetrazoles", Organic & Biomolecular Chemistry 9, 17: 6040 - 6054.
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| 31. |
Gerbino, E.; Mobili, P.; Tymczyszyn, E. E; Fausto, R.; Gomez-Zavaglia, A.. 2011. "FTIR spectroscopy structural analysis of the interaction between Lactobacillus kefir S-layers and metal ions", Journal of Molecular Structure 987, 1-3: 186 - 192.
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| 32. |
Gomez-Zavaglia, A.; Ismael, A.; Cabral, L. I. L; Kaczor, A.; Paixao, J. A; Fausto, R.; Cristiano, M. L. S. 2011. "Structural investigation of nitrogen-linked saccharinate-tetrazole", Journal of Molecular Structure 1003, 1-3: 103 - 110.
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| 33. |
Kaczor, A.; Reva, I.; Warszycki, D.; Fausto, R.. 2011. "UV-induced cyclization in myrcene isolated in rigid argon environment: FT-IR and DFT study", Journal of Photochemistry and Photobiology a-Chemistry 222, 1: 1 - 9.
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| 34. |
Lapinski, L.; Reva, I.; Nowak, M. J; Fausto, R.. 2011. "Five isomers of monomeric cytosine and their interconversions induced by tunable UV laser light", Physical Chemistry Chemical Physics 13, 20: 9676 - 9684.
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| 35. |
Kus, N.; Ai, Y. J; Fang, W. H; Fausto, R.. 2011. "Photorotamerization of matrix-isolated acrylic acid revisited", Journal of Chemical Physics 134, 15: 154306 - ..
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| 36. |
Lopes, S.; Nunes, C. M; Gomez-Zavaglia, A.; Melo, Tmvdpe; Fausto, R.. 2011. "Photochemistry and Vibrational Spectra of Matrix-Isolated Methyl 4-Chloro-5-phenylisoxazole-3-carboxylate", Journal of Physical Chemistry A 115, 7: 1199 - 1209.
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| 37. |
Lopes, S.; Nunes, C. M; Gomez-Zavaglia, A.; Melo, Tmvdpe; Fausto, R.. 2011. "Structure and photochemical behaviour of 3-azido-acrylophenones: a matrix isolation infrared spectroscopy study", Tetrahedron 67, 40: 7794 - 7804.
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| 38. |
Marzec, K. M; Reva, I.; Fausto, R.; Proniewicz, L. M. 2011. "Comparative Matrix Isolation Infrared Spectroscopy Study of 1,3-and 1,4-Diene Monoterpenes (alpha-Phellandrene and gamma-Terpinene)", Journal of Physical Chemistry A 115, 17: 4342 - 4353.
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| 39. |
Pagacz-Kostrzewa, M.; Reva, I. D; Bronisz, R.; Giuliano, B. M; Fausto, R.; Wierzejewska, M.. 2011. "Conformational Behavior and Tautomer Selective Photochemistry in Low Temperature Matrices: The Case of 5-(1H-Tetrazol-1-yl)-1,2,4-triazole", Journal of Physical Chemistry A 115, 22: 5693 - 5707.
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| 40. |
Nunes, C. M; Reva, I.; Melo, Tmvdpe; Fausto, R.; Solomek, T.; Bally, T.. 2011. "The Pyrolysis of Isoxazole Revisited: A New Primary Product and the Pivotal Role of the Vinylnitrene. A Low-Temperature Matrix
Isolation and Computational Study", Journal of the American Chemical Society 133, 46: 18911 - 18923.
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| 41. |
Sharma, A.; Reva, I.; Fausto, R.; Hesse, S.; Xue, Z. F; Suhm, M. A; Nayak, S. K; Sathishkumar, R.; Pal, R.; Row, T. N. G. 2011. "Conformation-Changing Aggregation in Hydroxyacetone: A Combined Low-Temperature FTIR, Jet, and Crystallographic Study", Journal of the American Chemical Society 133, 50: 20194 - 20207.
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| 42. |
Rostkowska, H.; Lapinski, L.; Reva, I.; Almeida, Bjan; Nowak, M. J; Fausto, R.. 2011. "UV-Induced Hydrogen-Atom Transfer in 3,6-Dithiopyridazine and in Model Compounds 2-Thiopyridine and 3-Thiopyridazine", Journal of Physical Chemistry A 115, 44: 12142 - 12149.
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| 43. |
Gomez-Zavaglia, A.; Reva, I. D; Frija, L. M. T; Cristiano, M. L. S; Fausto, R.. 2011. "Photochemistry of Tetrazole Derivatives in Cryogenic Rare Gas Matrices", ChemInform 42, 24: no - no.
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| 44. |
Araujo-Andrade, C.; Lopes, S.; Fausto, R.; Gomez-Zavaglia, A.. 2010. "Conformational study of arbutin by quantum chemical calculations and multivariate analysis", Journal of Molecular Structure 975, 1-3: 100 - 109.
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| 45. |
Borba, A.; Albrecht, M.; Gomez-Zavaglia, A.; Suhm, M. A; Fausto, R.. 2010. "Low Temperature Infrared Spectroscopy Study of Pyrazinamide: From the Isolated Monomer to the Stable Low Temperature Crystalline
Phase", Journal of Physical Chemistry A 114, 1: 151 - 161.
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| 46. |
Duarte, L. F; Teixeira, F. C; Fausto, R.. 2010. "Molecular modeling of the interaction of novel hydroxy- and aminobisphosphonates with hydroxyapatite", Arkivoc 10, .: 117 - 127. |
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| 47. |
Fonseca, A. C; Frias, M. A; Bouchet, A. M; Jarmelo, S.; Simoes, P. N; Fausto, R.; Gil, M. H; Lairion, F.; Disalvo, E. A. 2010. "Role of Guanidyl Moiety in the Insertion of Arginine and N-alpha-Benzoyl-L-argininate Ethyl Ester Chloride in Lipid Membranes", Journal of Physical Chemistry B 114, 17: 5946 - 5952.
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| 48. |
Fonseca, A. C; Jarmelo, S.; Carvalho, R. A; Fausto, R.; Gil, M. H; Simoes, P. N. 2010. "H-1 NMR Spectroscopic and Quantum Chemical Studies on a Poly(ester amide) Model Compound: N-alpha-Benzoyl-L-Argininate Ethyl
Ester Chloride. Structural Preferences for the Isolated Molecule and in Solution", Journal of Physical Chemistry B 114, 18: 6156 - 6164.
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| 49. |
Giuliano, B. M; Reva, I.; Fausto, R.. 2010. "Infrared Spectra and Photochemistry of Matrix-Isolated Pyrrole-2-carbaldehyde", Journal of Physical Chemistry A 114, 7: 2506 - 2517.
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| 50. |
Ismael, A.; Cristiano, M. L. S; Fausto, R.; Gomez-Zavaglia, A.. 2010. "Tautomer Selective Photochemistry in 1-(Tetrazol-5-yl)ethanol", Journal of Physical Chemistry A 114, 50: 13076 - 13085.
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| 51. |
Kus, N.; Reva, I.; Fausto, R.. 2010. "Photoisomerization and Photochemistry of Matrix-Isolated 3-Furaldehyde", Journal of Physical Chemistry A 114, 47: 12427 - 12436.
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| 52. |
Kus, N.; Sharma, A.; Reva, I.; Lapinski, L.; Fausto, R.. 2010. "Thermal and Photoinduced Control of Relative Populations of 4-Methoxybenzaldehyde (p-Anisaldehyde) Conformers", Journal of Physical Chemistry A 114, 29: 7716 - 7724.
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| 53. |
Lapinski, L.; Nowak, M. J; Reva, I.; Rostkowska, H.; Fausto, R.. 2010. "NIR-laser-induced selective rotamerization of hydroxy conformers of cytosine", Physical Chemistry Chemical Physics 12, 33: 9615 - 9618.
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| 54. |
Lopes, S.; Nunes, C. M; Gomez-Zavaglia, A.; Melo, Tmvdpe; Fausto, R.. 2010. "Conformational Space and Vibrational Spectra of Methyl 4-Chloro-5-phenyl-1,3-oxazole-2-carboxylate", Journal of Physical Chemistry A 114, 34: 9074 - 9082.
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| 55. |
Lopes, S.; Domanskaya, A. V; Fausto, R.; Rasanan, M.; Khriachtchev, L.. 2010. "Formic and acetic acids in a nitrogen matrix: Enhanced stability of the higher-energy conformer", Journal of Chemical Physics 133, 14: 144507 - ..
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| 56. |
Lapinski, L.; Rostkowska, H.; Reva, I.; Fausto, R.; Nowak, M. J. 2010. "Positive Identification of UV-Generated, Non-Hydrogen-Bonded Isomers of o-Hydroxybenzaldehyde and o-Hydroxyacetophenone", Journal of Physical Chemistry A 114, 17: 5588 - 5595.
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| 57. |
Marzec, K. M; Reva, I.; Fausto, R.; Malek, K.; Proniewicz, L. M. 2010. "Conformational Space and Photochemistry of alpha-Terpinene", Journal of Physical Chemistry A 114, 17: 5526 - 5536.
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| 58. |
Nunes, C. M; Silva, M. R; Beja, A. M. M; Fausto, R.; Melo, Tmvdpe. 2010. "Cycloaddition of trifluoromethyl azafulvenium methides: synthesis of new trifluoromethylpyrrole-annulated derivatives", Tetrahedron Letters 51, 2: 411 - 414.
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| 59. |
Reva, I.; Lapinski, L.; Fausto, R.. 2010. "Infrared spectra of methyl isocyanate isolated in Ar, Xe and N-2 matrices", Journal of Molecular Structure 976, 1-3: 333 - 341.
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| 60. |
Velino, B.; Evangelisti, L.; Caminati, W.; Fausto, R.. 2010. "Conformation, structure, quadrupole coupling constants and van der Waals potential energy surface of dichloromethane-Ar", Journal of Molecular Structure 976, 1-3: 136 - 140.
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| 61. |
Albrecht, Merwe; Borba, A.; Le Barbu-Debus, K; Dittrich, Birger; Fausto, R.; Grimme, S.; Mahjoub, Ahmed; Nedic, Marija; Schmitt, Ulrich; Schrader, Lena; Suhm, Martin A; Zehnacker-Rentien, Anne; Zischang, Julia. 2010. "Chirality influence on the aggregation of methyl mandelate", New Journal of Chemistry 34, 7: 1266 - 1266.
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| 62. |
Almeida, R.; Gomez-Zavaglia, A.; Kaczor, A.; Ismael, A.; Cristiano, M. L. S; Fausto, R.. 2009. "Matrix-isolation FTIR, theoretical structural analysis and reactivity of amino-saccharins: N-(1,1-dioxo-1,2-benzisothiazol-3-yl)-N-methyl
amine and -N,N-dimethyl amine", Journal of Molecular Structure 938, 1-3: 198 - 206.
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| 63. |
Borba, A.; Gomez-Zavaglia, A.; Fausto, R.. 2009. "Molecular Structure, Infrared Spectra, and Photochemistry of Isoniazid under Cryogenic Conditions", Journal of Physical Chemistry A 113, 32: 9220 - 9230.
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| 64. |
Borba, A.; Lairion, F.; Disalvo, A.; Fausto, R.. 2009. "Interaction of nicotinamide and picolinamide with phosphatidylcholine and phosphatidylethanolamine membranes: A combined approach
using dipole potential measurements and quantum chemical calculations", Biochimica Et Biophysica Acta-Biomembranes 1788, 12: 2553 - 2562.
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| 65. |
Breda, S.; Reva, I.; Fausto, R.. 2009. "UV-induced unimolecular photochemistry of 2(5H)-furanone and 2(5H)-thiophenone isolated in low temperature inert matrices", Vibrational Spectroscopy 50, 1: 57 - 67.
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| 66. |
Frija, L. M. T; Fausto, R.; Loureiro, R. M. S; Cristiano, M. L. S. 2009. "Synthesis and structure of novel benzisothiazole-tetrazolyl derivatives for potential application as nitrogen ligands", Journal of Molecular Catalysis a-Chemical 305, 1-2: 142 - 146.
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| 67. |
Gomez-Zavaglia, A.; Kaczor, A.; Coelho, D. V; Cristiano, M. L. S; Fausto, R.. 2009. "Conformational and structural analysis of 2-allyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide as probed by matrix-isolation spectroscopy
and quantum chemical calculations", Journal of Molecular Structure 919, 1-3: 271 - 276.
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| 68. |
Gomez-Zavaglia, A.; Kaczor, A.; Almeida, R.; Cristiano, M. L. S; Eusebio, M. E. S; Maria, T. M. R; Mobili, P.; Fausto, R.. 2009. "Thermally Induced Sigmatropic Isomerization of Pseudosaccharyl Allylic Ether", Journal of Physical Chemistry A 113, 15: 3517 - 3522.
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| 69. |
Kus, N.; Bayari, S. H; Fausto, R.. 2009. "Thermal decomposition of allantoin as probed by matrix isolation FTIR spectroscopy", Tetrahedron 65, 47: 9719 - 9727.
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| 70. |
Kus, N.; Breda, S.; Fausto, R.. 2009. "In situ direct photoproduction of ketenes from substituted coumarins isolated in solid argon: The case of N-(2-oxo-2H-chromen-3-yl)acetamide", Journal of Molecular Structure 924-26, .: 81 - 88.
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| 71. |
Lopes, S.; Nunes, C. M; Fausto, R.; Melo, Tmvdpe. 2009. "4-Halo-1,3-oxazoles: Unambiguous structural assignment of 2-halo-2-benzoyl-2H-azirine-3-carboxylates thermal ring expansion
products", Journal of Molecular Structure 919, 1-3: 47 - 53.
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| 72. |
Mobili, P.; Londero, A.; Maria, T. M. R; Eusebio, M. E. S; De Antoni, G. L; Fausto, R.; Gomez-Zavaglia, A.. 2009. "Characterization of S-layer proteins of Lactobacillus by FTIR spectroscopy and differential scanning calorimetry", Vibrational Spectroscopy 50, 1: 68 - 77.
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| 73. |
Nunes, C. M; Lopes, S.; Melo, Tmvdpe; Fausto, R.. 2009. "Spectroscopic and theoretical investigation of the conformational space of a pyrazolo-thiazole precursor of extended dipole
diazafulvenium methide intermediates", Journal of Molecular Structure 921, 1-3: 101 - 108.
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| 74. |
Rosado, M. T. S; Jesus, A. J. L; Reva, I. D; Fausto, R.; Redinha, J. S. 2009. "Conformational Cooling Dynamics in Matrix-Isolated 1,3-Butanediol", Journal of Physical Chemistry A 113, 26: 7499 - 7507.
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| 75. |
Sharma, A.; Reva, I.; Fausto, R.. 2009. "Conformational Switching Induced by Near-Infrared Laser Irradiation", Journal of the American Chemical Society 131, 25: 8752 - +.
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| 76. |
Almeida, R.; Gomez-Zavaglia, A.; Kaczor, A.; Cristiano, M. L. S; Eusebio, M. E. S; Maria, T. M. R; Fausto, R.. 2008. "First observation of Chapman rearrangement of a pseudosaccharyl ether in the solid state: the thermal isomerization of 3-(methoxy)1,2-benzisothiazole
1,1-dioxide revisited", Tetrahedron 64, 15: 3296 - 3305.
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| 77. |
Borba, A.; Albrecht, M.; Gomez-Zavaglia, A.; Lapinski, L.; Nowak, M. J; Suhm, M. A; Fausto, R.. 2008. "Dimer formation in nicotinamide and picolinamide in the gas and condensed phases probed by infrared spectroscopy", Physical Chemistry Chemical Physics 10, 46: 7010 - 7021.
|
|
|
|
| 78. |
Borba, A.; Gomez-Zavaglia, A.; Fausto, R.. 2008. "Molecular structure, vibrational spectra, quantum chemical calculations and photochemistry of picolinamide and isonicotinamide
isolated in cryogenic inert matrixes and in the neat low-temperature solid phases", Journal of Physical Chemistry A 112, 1: 45 - 57.
|
|
|
|
| 79. |
Breda, S.; Reva, I.; Fausto, R.. 2008. "Molecular structure and vibrational spectra of 2(5H)-furanone and 2(5H)-thiophenone isolated in low temperature inert matrix", Journal of Molecular Structure 887, 1-3: 75 - 86.
|
|
|
|
| 80. |
Fausto, R.; Breda, S.; Kus, N.. 2008. "Photochemistry of six- and five-membered-ring alpha,beta-unsaturated lactones in cryogenic matrices", Journal of Physical Organic Chemistry 21, 7-8: 644 - 651.
|
|
|
|
| 81. |
Frija, L. M. T; Khmelinskii, I. V; Serpa, C.; Reva, I. D; Fausto, R.; Cristiano, M. L. S. 2008. "Photochemistry of 5-allyloxy-tetrazoles: steady-state and laser flash photolysis study", Organic & Biomolecular Chemistry 6, 6: 1046 - 1055.
|
|
|
|
| 82. |
Gomez-Zavaglia, A.; Kaezor, A.; Almeida, R.; Cristiano, Mdls; Fausto, R.. 2008. "Conformational space of the Pseudosaccharin allyl ether 3-(Allyloxy)-1,2-benzisothiazole 1,1-dioxide in gas phase and in rare
gas matrices", Journal of Physical Chemistry A 112, 8: 1762 - 1772.
|
|
|
|
| 83. |
Kaczor, A.; Almeida, R.; Gomez-Zavaglia, A.; Cristiano, M. D. S; Fausto, R.. 2008. "Molecular structure and infrared spectra of the monomeric 3-(methoxy)-1,2-benzisothiazole 1,1-dioxide (methyl pseudosaccharyl
ether)", Journal of Molecular Structure 876, 1-3: 77 - 85.
|
|
|
|
| 84. |
Kaczor, A.; Proniewicz, L. M; Almeida, R.; Gomez-Zavaglia, A.; Cristiano, M. L. S; Beja, A. M. M; Silva, M. R; Fausto, R.. 2008. "The Chapman-type rearrangement in pseudosaccharins: The case of 3-(methoxy)-1,2-benzisothiazole 1,1-dioxide", Journal of Molecular Structure 892, 1-3: 343 - 352.
|
|
|
|
| 85. |
Jarmelo, S.; Reva, I. D; Lapinski, L.; Nowak, M. J; Fausto, R.. 2008. "Matrix-Isolated Diglycolic Anhydride: Vibrational Spectra and Photochemical Reactivity", Journal of Physical Chemistry A 112, 44: 11178 - 11189.
|
|
|
|
| 86. |
Jarmelo, S.; Reva, I.; Rozenberg, M.; Silva, M. R; Beja, A. M. M; Fausto, R.. 2008. "Crystal and molecular structure of DL-serine hydrochloride studied by X-ray diffraction, low-temperature Fourier transform
infrared spectroscopy and DFT(B3LYP) calculations", Journal of Physical Chemistry B 112, 27: 8032 - 8041.
|
|
|
|
| 87. |
Jesus, A. J. L; Rosado, M. T. S; Reva, I.; Fausto, R.; Eusebio, A. E. S; Redinha, J. S. 2008. "Structure of isolated 1,4-butanediol: Combination of MP2 calculations, NBO analysis, and matrix-isolation infrared spectroscopy", Journal of Physical Chemistry A 112, 20: 4669 - 4678.
|
|
|
|
| 88. |
Lucena, J. R; Sharma, A.; Reva, I. D; Araujo, Rmcu; Ventura, E.; do Monte, S. A; Braga, C. F; Ramos, M. N; Fausto, R.. 2008. "Matrix Isolation FTIR Spectroscopic and Theoretical Study of 3,3-Dichloro-1,1,1-Trifluoropropane (HCFC-243)", Journal of Physical Chemistry A 112, 46: 11641 - 11648.
|
|
|
|
| 89. |
Lopes, S.; Gomez-Zavaglia, A.; Fausto, R.. 2008. "Low temperature IR spectroscopy and photochemistry of matrix-isolated alpha-pyridil", Journal of Photochemistry and Photobiology a-Chemistry 200, 2-3: 169 - 180.
|
|
|
|
| 90. |
Olbert-Majkut, A.; Reva, I. D; Fausto, R.. 2008. "Selective IR-induced isomerization of 1,2-dichloropropane isolated in xenon matrix", Chemical Physics Letters 456, 4-6: 127 - 134.
|
|
|
|
| 91. |
Reva, I.; Nowak, M. J; Lapinski, L.; Fausto, R.. 2008. "Photoinduced transformation of matrix-isolated methyl 2-pyrone-3-carboxylate into methyl 2-pyrone-5-carboxylate via intramolecular
hydrogen shift in open-ring aldehyde-ketene", Chemical Physics Letters 452, 1-3: 20 - 28.
|
|
|
|
| 92. |
Simoes, P. N; Reva, I.; Pedroso, L. M; Fausto, R.; Portugal, A. A. 2008. "Low-temperature FTIR spectroscopic and theoretical study on an energetic nitroimine: Dinitroammeline (DNAM)", Journal of Physical Chemistry A 112, 15: 3432 - 3443.
|
|
|
|
| 93. |
Sharma, A.; Reva, I.; Fausto, R.. 2008. "Matrix-isolation study and ab initio calculations of the structure and spectra of hydroxyacetone", Journal of Physical Chemistry A 112, 26: 5935 - 5946.
|
|
|
|
| 94. |
Frija, L. M. T; Reva, I. D; Gomez-Zavaglia, A.; Cristiano, M. L. S; Fausto, R.. 2007. "UV-induced photochemistry of matrix-isolated 1-phenyl-4-allyl-tetrazolone", Photochemical & Photobiological Sciences 6, 11: 1170 - 1176.
|
|
|
|
| 95. |
Frija, L. M. T; Reva, I. D; Gomez-Zavaglia, A.; Cristiano, M. L. S; Fausto, R.. 2007. "Photochemistry and vibrational spectra of matrix-isolated 5-ethoxy-1-phenyl-1H-tetrazole", Journal of Physical Chemistry A 111, 15: 2879 - 2888.
|
|
|
|
| 96. |
Gomez-Zavaglia, A.; Kaczor, A.; Cardoso, A. L; Melo, Tmvdpe; Fausto, R.. 2007. "Substituent effects on the photolysis of methyl 2-carboxylate substituted aliphatic 2H-azirines", Journal of Molecular Structure 834, .: 262 - 269.
|
|
|
|
| 97. |
Jarmelo, S.; Carey, P. R; Fausto, R.. 2007. "The Raman spectra of serine and 3,3-dideutero-serine in aqueous solution", Vibrational Spectroscopy 43, 1: 104 - 110.
|
|
|
|
| 98. |
Kaczor, A.; Reva, I. D; Proniewicz, L. M; Fausto, R.. 2007. "Matrix-isolated monomeric tryptophan: Electrostatic interactions as nontrivial factors stabilizing conformers", Journal of Physical Chemistry A 111, 15: 2957 - 2965.
|
|
|
|
| 99. |
Jarmelo, S.; Reva, I.; Carey, P. R; Fausto, R.. 2007. "Infrared and Raman spectroscopic characterization of the hydrogen-bonding network in L-serine crystal", Vibrational Spectroscopy 43, 2: 395 - 404.
|
|
|
|
| 100. |
Kus, N.; Breda, S.; Reva, I.; Tasal, E.; Ogretir, C.; Fausto, R.. 2007. "FTIR spectroscopic and theoretical study of the photochemistry of matrix-isolated coumarin", Photochemistry and Photobiology 83, 5: 1237 - 1253.
|
|
|
|
| 101. |
Lucena, J. R; Ventura, E.; do Monte, S. A; Araujo, Rcmu; Ramos, M. N; Fausto, R.. 2007. "Dissociation of ground and n sigma(*) states of CF3Cl using multireference configuration interaction with singles and doubles
and with multireference average quadratic coupled cluster extensivity corrections", Journal of Chemical Physics 127, 16: 164320 - ..
|
|
|
|
| 102. |
Borba, A.; Gomez-Zavaglia, A.; Fausto, R.. 2006. "Conformational cooling and conformation selective aggregation in dimethyl sulfite isolated in solid rare gases", Journal of Molecular Structure 794, 1-3: 196 - 203.
|
|
|
|
| 103. |
Breda, S.; Reva, I. D; Lapinski, L.; Nowak, M. J; Fausto, R.. 2006. "Infrared spectra of pyrazine, pyrimidine and pyridazine in solid argon", Journal of Molecular Structure 786, 2-3: 193 - 206.
|
|
|
|
| 104. |
Breda, S.; Reva, I.; Lapinski, L.; Cristiano, M. L. S; Frija, L.; Fausto, R.. 2006. "Photochemical ring-opening and intramolecular hydrogen shift reactions in sulfur analogues of alpha-pyrone", Journal of Physical Chemistry A 110, 20: 6415 - 6425.
|
|
|
|
| 105. |
Breda, S.; Reva, I.; Lapinski, L.; Fausto, R.. 2006. "Molecular structure, infrared spectrum, and photochemistry of squaric acid dimethyl ester in solid argon", Journal of Physical Chemistry A 110, 38: 11034 - 11045.
|
|
|
|
| 106. |
Cardoso, A. L; Kaczor, A.; Silva, A. M. S; Fausto, R.; Melo, Tmvdpe; Gonsalves, Amdr. 2006. "Intermolecular cycloaddition of nonstabilized azomethine ylides generated from 1,3-thiazolidine-4-carboxylic acids: synthesis
of 5,7a-dihydro-1H,3H-pyrrolo 1,2-c thiazoles", Tetrahedron 62, 42: 9861 - 9871.
|
|
|
|
| 107. |
Gomez-Zavaglia, A.; Kaczor, A.; Cardoso, A. L; Melo, Tmvdpe; Fausto, R.. 2006. "Unusual photochemical C-N bond cleavage in the novel methyl 2-Chloro-3-methyl-2H-azirine-2-carboxylate", Journal of Physical Chemistry A 110, 26: 8081 - 8092.
|
|
|
|
| 108. |
Gomez-Zavaglia, A.; Reva, I. D; Frija, L.; Cristiano, M. L. S; Fausto, R.. 2006. "Photochemistry of 1-phenyl-tetrazolone isolated in solid argon", Journal of Photochemistry and Photobiology a-Chemistry 179, 3: 243 - 255.
|
|
|
|
| 109. |
Gomez-Zavaglia, A.; Reva, I. D; Frija, L.; Cristiano, M. L. S; Fausto, R.. 2006. "Molecular structure, vibrational spectra and photochemistry of 5-mercapto-1-methyltetrazole", Journal of Molecular Structure 786, 2-3: 182 - 192.
|
|
|
|
| 110. |
Gomez-Zavaglia, A.; Reva, I. D; Frija, L.; Cristiano, M. L. S; Fausto, R.. 2006. "Infrared spectrum and UV-induced photochemistry of matrix-isolated 5-methoxy-1-phenyl-1H-tetrazole", Journal of Photochemistry and Photobiology a-Chemistry 180, 1-2: 175 - 183.
|
|
|
|
| 111. |
Jarmelo, S.; Fausto, R.. 2006. "Entropy effects in conformational distribution and conformationally dependent UV-induced photolysis of serine monomer isolated
in solid argon", Journal of Molecular Structure 786, 2-3: 175 - 181.
|
|
|
|
| 112. |
Kaczor, A.; Gomez-Zavaglia, A.; Cardoso, A. L; Melo, Tmvdpe; Fausto, R.. 2006. "Methyl 3-methyl-2H-azirine-2-carboxylate photochemistry studied by matrix-isolation FTIR and DFT calculations", Journal of Physical Chemistry A 110, 37: 10742 - 10749.
|
|
|
|
| 113. |
Kaczor, A.; Melo, Tmvdpe; Soares, M. I. L; Fausto, R.. 2006. "Conformational behavior of dimethyl 5-methyl-1H,3H-pyrrolo 1,2-c 1,3 thiazole-6,7-dicarboxylate 2,2-dioxide isolated in low-temperature
matrixes", Journal of Physical Chemistry A 110, 20: 6531 - 6539.
|
|
|
|
| 114. |
Kaczor, A.; Reva, I. D; Proniewicz, L. M; Fausto, R.. 2006. "Importance of entropy in the conformational equilibrium of phenylalanine: A matrix-isolation infrared spectroscopy and density
functional theory study", Journal of Physical Chemistry A 110, 7: 2360 - 2370.
|
|
|
|
| 115. |
Jarmelo, S.; Reva, I.; Rozenberg, M.; Carey, P. R; Fausto, R.. 2006. "Low-temperature infrared spectra and hydrogen bonding in polycrystalline DL-serine and deuterated derivatives", Vibrational Spectroscopy 41, 1: 73 - 82.
|
|
|
|
| 116. |
Jesus, A. J. L; Rosado, M. T. S; Reva, I.; Fausto, R.; Eusebio, M. E. S; Redinha, J. S. 2006. "Conformational study of monomeric 2,3-butanediols by matrix-isolation infrared spectroscopy and DFT calculations", Journal of Physical Chemistry A 110, 12: 4169 - 4179.
|
|
|
|
| 117. |
Lopes, S.; Gomez-Zavaglia, A.; Fausto, R.. 2006. "Matrix isolation and low temperature solid state FTIR spectroscopic study of alpha-furil", Physical Chemistry Chemical Physics 8, 15: 1794 - 1806.
|
|
|
|
| 118. |
Melo, Tmvdpe; Lopes, S. M. M; Gonsalves, Amdr; Kaczor, A.; Fausto, R.; Paixao, J. A; Beja, A. M. M; Silva, M. R. 2006. "Hexahydro-pyrrolo 1 ',2 ',5 ': 3,4,5 thiazolo 3,4-c oxazol-1-ones: New chiral tricyclic L-cysteine and D-penicillamine derivatives", Letters in Organic Chemistry 3, 11: 820 - 826. |
|
|
|
| 119. |
Reva, I. D; Jesus, A. J. L; Rosado, M. T. S; Fausto, R.; Eusebio, M. E. S; Redinha, J. S. 2006. "Stepwise conformational cooling towards a single isomeric state in the four internal rotors system 1,2-butanediol", Physical Chemistry Chemical Physics 8, 45: 5339 - 5349.
|
|
|
|
| 120. |
Reva, I. D; Nowak, M. J; Lapinski, L.; Fausto, R.. 2006. "UV-induced photochemistry of methyl coumalate (methyl 2-pyrone-5-carboxylate) isolated in low-temperature inert matrices", Chemical Physics Letters 429, 4-6: 382 - 388.
|
|
|
|
| 121. |
Borba, A.; Gomez-Zavaglia, A.; Simoes, Pnnl; Fausto, R.. 2005. "Matrix isolation FTIR spectroscopic and theoretical study of dimethyl sulfite", Journal of Physical Chemistry A 109, 16: 3578 - 3586.
|
|
|
|
| 122. |
Borba, A.; Gomez-Zavaglia, A.; Simoes, Pnnl; Fausto, R.. 2005. "Matrix-isolation FT-IR spectra and theoretical study of dimethyl sulfate", Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 61, 7: 1461 - 1470.
|
|
|
|
| 123. |
Breda, S.; Reva, I. D; Lapinski, L.; Fausto, R.. 2005. "Photochemical alpha-cleavage in pyran-2-thione: Generation of aldehyde-thioketene and thioaldehyde-ketene photoproducts", Chemphyschem 6, 4: 602 - 604.
|
|
|
|
| 124. |
Gomez-Zavaglia, A.; Reva, I. D; Frija, L.; Cristiano, M. L. S; Fausto, R.. 2005. "Molecular structure, vibrational spectra and photochemistry of 2-methyl-2H-tetrazol-5-amine in solid argon", Journal of Physical Chemistry A 109, 35: 7967 - 7976.
|
|
|
|
| 125. |
Jarmelo, S.; Maiti, N.; Anderson, V.; Carey, P. R; Fausto, R.. 2005. "C-alpha-H bond-stretching frequency in alcohols as a probe of hydrogen-bonding strength: A combined vibrational spectroscopic
and theoretical study of n- 1-D propanol", Journal of Physical Chemistry A 109, 10: 2069 - 2077.
|
|
|
|
| 126. |
Jarmelo, S.; Lapinski, L.; Nowak, M. J; Carey, P. R; Fausto, R.. 2005. "Preferred conformers and photochemical (lambda > 200 nm) reactivity of serine and 3,3-dideutero-serine in the neutral form", Journal of Physical Chemistry A 109, 25: 5689 - 5707.
|
|
|
|
| 127. |
Lopes, S.; Gomez-Zavaglia, A.; Lapinski, L.; Fausto, R.. 2005. "Conformational flexibility, UV-induced decarbonylation, and FTIR spectra of 1-phenyl-1,2 propanedione in solid xenon and in
the low temperature amorphous phase", Journal of Physical Chemistry A 109, 25: 5560 - 5570.
|
|
|
|
| 128. |
Macoas, E. M. S; Khriachtchev, L.; Pettersson, M.; Fausto, R.; Rasanen, M.. 2005. "Rotational isomerization of small carboxylic acids isolated in argon matrices: Tunnelling and quantum yields for the photoinduced
processes", Physical Chemistry Chemical Physics 7, 5: 743 - 749.
|
|
|
|
| 129. |
Macoas, E. M. S; Khriachtchev, L.; Pettersson, M.; Fausto, R.; Rasanen, M.. 2005. "Internal rotation in propionic acid: Near-infrared-induced isomerization in solid argon", Journal of Physical Chemistry A 109, 16: 3617 - 3625.
|
|
|
|
| 130. |
Reva, I.; Simao, A.; Fausto, R.. 2005. "Conformational properties of trimethyl phosphate monomer", Chemical Physics Letters 406, 1-3: 126 - 136.
|
|
|
|
| 131. |
Reva, I.; Breda, S.; Roseiro, T.; Eusebio, E.; Fausto, R.. 2005. "On the pyrolysis mechanism of 2-pyranones and 2-pyranthiones: Thermally induced ground electronic state chemistry of pyran-2-thione", Journal of Organic Chemistry 70, 19: 7701 - 7710.
|
|
|
|
| 132. |
Rozenberg, M.; Shoham, G.; Reva, I.; Fausto, R.. 2005. "Spontaneous self-association of adenine and uracil in polycrystals from low temperature FTIR spectra in the range below 1000
cm(-1)", Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 62, 1-3: 233 - 238.
|
|
|
|
| 133. |
Rozenberg, M.; Shoham, G.; Reva, I.; Fausto, R.. 2005. "A correlation between the proton stretching vibration red shift and the hydrogen bond length in polycrystalline amino acids
and peptides", Physical Chemistry Chemical Physics 7, 11: 2376 - 2383.
|
|
|
|
| 134. |
Borba, A.; Gomez-Zavaglia, A.; Lapinski, L.; Fausto, R.. 2004. "Matrix isolation FTIR spectroscopic and theoretical study of methyl lactate", Vibrational Spectroscopy 36, 1: 79 - 88.
|
|
|
|
| 135. |
Borba, A.; Gomez-Zavaglia, A.; Lapinski, L.; Fausto, R.. 2004. "Rotational isomers of lactic acid: first experimental observation of higher energy forms", Physical Chemistry Chemical Physics 6, 9: 2101 - 2108.
|
|
|
|
| 136. |
Breda, S.; Lapinski, L.; Reva, I.; Fausto, R.. 2004. "4,6-dimethyl-alpha-pyrone: a matrix isolation study of the photochemical generation of conjugated ketene, Dewar valence isomer
and 1,3-dimethyl-cyclobutadiene", Journal of Photochemistry and Photobiology a-Chemistry 162, 1: 139 - 151.
|
|
|
|
| 137. |
Breda, S.; Reva, I.; Lapinski, L.; Fausto, R.. 2004. "Matrix isolation FTIR and theoretical study of alpha-pyrone photochemistry", Physical Chemistry Chemical Physics 6, 5: 929 - 937.
|
|
|
|
| 138. |
Fausto, R.. 2004. "Special issue - Keynote papers from CRYOBIOMOL 2003 - Preface", Cryobiology 48, 2: 101 - 102.
|
|
|
|
| 139. |
Gomez-Zavaglia, A.; Fausto, R.. 2004. "Matrix isolation FT-IR spectroscopy and molecular orbital study of sarcosine methyl ester", Journal of Molecular Structure 689, 3: 199 - 212.
|
|
|
|
| 140. |
Gomez-Zavaglia, A.; Fausto, R.. 2004. "Self-aggregation in pyrrole: Matrix isolation, solid state infrared spectroscopy, and DFT study", Journal of Physical Chemistry A 108, 34: 6953 - 6967.
|
|
|
|
| 141. |
Lapinski, L.; Rostkowska, H.; Khvorostov, A.; Yaman, M.; Fausto, R.; Nowak, M. J. 2004. "Double-proton-transfer processes in dithiooxamide: UV-induced dithione -> dithiol reaction and ground-state dithiol -> dithione
tunneling", Journal of Physical Chemistry A 108, 26: 5551 - 5558.
|
|
|
|
| 142. |
Lopes, S.; Gomez-Zavaglia, A.; Lapinski, L.; Chattopadhyay, N.; Fausto, R.. 2004. "Matrix-isolation FTIR spectroscopy of benzil: Probing the flexibility of the C-C torsional coordinate", Journal of Physical Chemistry A 108, 40: 8256 - 8263.
|
|
|
|
| 143. |
Macoas, E. M. S; Khriachtchev, L.; Pettersson, M.; Lundell, J.; Fausto, R.; Rasanen, M.. 2004. "Infrared-induced conformational interconversion in carboxylic acids isolated in low-temperature rare-gas matrices", Vibrational Spectroscopy 34, 1: 73 - 82.
|
|
|
|
| 144. |
Macoas, E. M. S; Khriachtchev, L.; Fausto, R.; Rasanen, M.. 2004. "Photochemistry and vibrational spectroscopy of the trans and cis conformers of acetic acid in solid Ar", Journal of Physical Chemistry A 108, 16: 3380 - 3389.
|
|
|
|
| 145. |
Macoas, E. M. S; Khriachtchev, L.; Pettersson, M.; Fausto, R.; Rasanen, M.. 2004. "Rotational isomerism of acetic acid isolated in rare-gas matrices: Effect of medium and isotopic substitution on IR-induced
isomerization quantum yield and cis -> trans tunneling rate", Journal of Chemical Physics 121, 3: 1331 - 1338.
|
|
|
|
| 146. |
Reva, I. D; Jarmelo, S.; Lapinski, L.; Fausto, R.. 2004. "IR-induced photoisomerization of glycolic acid isolated in low-temperature inert matrices", Journal of Physical Chemistry A 108, 34: 6982 - 6989.
|
|
|
|
| 147. |
Reva, I. D; Jarmelo, S.; Lapinski, L.; Fausto, R.. 2004. "First experimental evidence of the third conformer of glycolic acid: combined matrix isolation, FTIR and theoretical study", Chemical Physics Letters 389, 1-3: 68 - 74.
|
|
|
|
| 148. |
Rozenberg, M.; Shoham, G.; Reva, I.; Fausto, R.. 2004. "Low temperature FTIR spectroscopy and hydrogen bonding in cytosine polycrystals", Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 60, 1-2: 463 - 470.
|
|
|
|
| 149. |
Rozenberg, M.; Shoham, G.; Reva, I.; Fausto, R.. 2004. "Low temperature Fourier transform infrared spectra and hydrogen bonding in polycrystalline uracil and thymine", Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 60, 10: 2323 - 2336.
|
|
|
|
| 150. |
Breda, S.; Lapinski, L.; Fausto, R.; Nowak, M. J. 2003. "Photoisomerization reactions of 4-methoxy- and 4-hydroxy-6-methyl-alpha-pyrones: An experimental matrix isolation and theoretical
density functional theory study", Physical Chemistry Chemical Physics 5, 20: 4527 - 4532.
|
|
|
|
| 151. |
Cacela, C.; Baudot, A.; Duarte, M. L; Matos-Beja, A. M; Silva, M. R; Paixao, J. A; Fausto, R.. 2003. "Low temperature polymorphism in 3-amino-1-propanol", Journal of Molecular Structure 649, 1-2: 143 - 153.
|
|
|
|
| 152. |
Gomez-Zavaglia, A.; Fausto, R.. 2003. "Low-temperature solid-state FTIR study of glycine, sarcosine and N,N-dimethylglycine: observation of neutral forms of simple
alpha-amino acids in the solid state", Physical Chemistry Chemical Physics 5, 15: 3154 - 3161.
|
|
|
|
| 153. |
Gomez-Zavaglia, A.; Fausto, R.. 2003. "Matrix-isolation and solid state low temperature FT-IR study of 2,3-butanedione (diacetyl)", Journal of Molecular Structure 661, .: 195 - 208.
|
|
|
|
| 154. |
Gomez-Zavaglia, A.; Fausto, R.. 2003. "Conformational study of sarcosine as probed by matrix-isolation FT-IR spectroscopy and molecular orbital calculations", Vibrational Spectroscopy 33, 1-2: 105 - 126.
|
|
|
|
| 155. |
Gomez-Zavaglia, A.; Fausto, R.. 2003. "Low temperature FT-IR and molecular orbital study of N,N-dimethylglycine methyl ester: Proof for different ground conformational
states in gas phase and in condensed media", Physical Chemistry Chemical Physics 5, 1: 52 - 63.
|
|
|
|
| 156. |
Gomez-Zavaglia, A.; Reva, I. D; Fausto, R.. 2003. "Matrix-isolation FT-IR spectra and molecular orbital calculations on neutral N,N-dimethylglycine", Physical Chemistry Chemical Physics 5, 1: 41 - 51.
|
|
|
|
| 157. |
Lapinski, L.; Rostkowska, H.; Khvorostov, A.; Fausto, R.; Nowak, M. J. 2003. "Photochemical ring-opening reaction in 2(1H)-pyrimidinones: A matrix isolation study", Journal of Physical Chemistry A 107, 31: 5913 - 5919.
|
|
|
|
| 158. |
Macoas, E. M. S; Lundell, J.; Pettersson, M.; Khriachtchev, L.; Fausto, R.; Rasanen, M.. 2003. "Vibrational spectroscopy of cis- and trans-formic acid in solid argon", Journal of Molecular Spectroscopy 219, 1: 70 - 80.
|
|
|
|
| 159. |
Macoas, E. M. S; Khriachtchev, L.; Pettersson, M.; Fausto, R.; Rasanen, M.. 2003. "Rotational isomerism in acetic acid: The first experimental observation of the high-energy conformer", Journal of the American Chemical Society 125, 52: 16188 - 16189.
|
|
|
|
| 160. |
Macoas, E. M. S; Khriachtchev, L.; Pettersson, M.; Juselius, J.; Fausto, R.; Rasanen, M.. 2003. "Reactive vibrational excitation spectroscopy of formic acid in solid argon: Quantum yield for infrared induced trans -> cis
isomerization and solid state effects on the vibrational spectrum", Journal of Chemical Physics 119, 22: 11765 - 11772.
|
|
|
|
| 161. |
Pettersson, M.; Macoas, E. M. S; Khriachtchev, L.; Fausto, R.; Rasanen, M.. 2003. "Conformational isomerization of formic acid by vibrational excitation at energies below the torsional barrier", Journal of the American Chemical Society 125, 14: 4058 - 4059.
|
|
|
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| 162. |
Reva, I. D; Stepanian, S. G; Adamowicz, L.; Fausto, R.. 2003. "Missing conformers. Comparative study of conformational cooling in cyanoacetate acid and methyl cyanoacetate isolated in low
temperature inert gas matrixes", Chemical Physics Letters 374, 5-6: 631 - 638.
|
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|
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| 163. |
Reva, I.; Lapinski, L.; Chattopadhyay, N.; Fausto, R.. 2003. "Vibrational spectrum and molecular structure of triphenylamine monomer: A combined matrix-isolation FTIR and theoretical study", Physical Chemistry Chemical Physics 5, 18: 3844 - 3850.
|
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| 164. |
Reva, I. D; Stepanian, S. G; Adamowicz, L.; Fausto, R.. 2003. "Conformational behavior of cyanoacetic acid: A combined matrix isolation Fourier transform infrared spectroscopy and theoretical
study", Journal of Physical Chemistry A 107, 33: 6351 - 6359.
|
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| 165. |
Rozenberg, M.; Shoham, G.; Reva, I.; Fausto, R.. 2003. "Low-temperature Fourier transform infrared spectra and hydrogen bonding in polycrystalline L-alanine", Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 59, 14: 3253 - 3266.
|
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| 166. |
Andrzejewska, A.; Lapinski, L.; Reva, I.; Fausto, R.. 2002. "Matrix isolation FTIR and molecular orbital study of E and Z acetaldoxime monomers", Physical Chemistry Chemical Physics 4, 14: 3289 - 3296.
|
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| 167. |
Baudot, A.; Cacela, C.; Duarte, M. L; Fausto, R.. 2002. "Thermal study of simple amino-alcohol solutions", Cryobiology 44, 2: 150 - 160.
|
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|
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| 168. |
Bugalho, S. C. S; Lapinski, L.; Cristiano, M. L. S; Frija, L. M. T; Fausto, R.. 2002. "Vibrational spectra and structure of 1-phenyltetrazole and 5-chloro-1-phenyltetrazole - A combined study by low temperature
matrix isolation and solid state FTIR spectroscopy and DFT calculations", Vibrational Spectroscopy 30, 2: 213 - 225.
|
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| 169. |
Bugalho, S. C. S; Serra, A. C; Lapinski, L.; Cristiano, M. L. S; Fausto, R.. 2002. "Low temperature matrix-isolation and solid state vibrational spectra of 5-chlorotetrazole", Physical Chemistry Chemical Physics 4, 10: 1725 - 1731.
|
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| 170. |
Chattopadhyay, N.; Reva, I.; Lapinski, L.; Fausto, R.; Arnaut, L. G; Formosinho, S. J. 2002. "Photoisomerization of p-(dimethylamino)-beta-chlorostyrene: A low temperature matrix isolation FTIR study", Journal of Physical Chemistry A 106, 15: 3722 - 3726.
|
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|
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| 171. |
Jarmelo, S.; Fausto, R.. 2002. "Structure and vibrational spectra of alpha-hydroxy isobutyric acid in the crystalline and glassy phases and isolated in inert
gas matrixes", Physical Chemistry Chemical Physics 4, 9: 1555 - 1563.
|
|
|
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| 172. |
Lopes, S.; Lapinski, L.; Fausto, R.. 2002. "Molecular structure and infrared spectra of dimethyl malonate: A combined quantum chemical and matrix-isolation spectroscopic
study", Physical Chemistry Chemical Physics 4, 24: 5952 - 5959.
|
|
|
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| 173. |
Lopes, S. B; Lapinski, L.; Fausto, R.. 2002. "Molecular structure and infrared spectra of dimethyl oxalate", Physical Chemistry Chemical Physics 4, 6: 1014 - 1020.
|
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| 174. |
Lopes, S.; Lapinski, L.; Fausto, R.. 2002. "Molecular structure and infrared spectra of dimethyl fumarate", Physical Chemistry Chemical Physics 4, 16: 3965 - 3974.
|
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| 175. |
Pettersson, M.; Macoas, E. M. S; Khriachtchev, L.; Lundell, J.; Fausto, R.; Rasanen, M.. 2002. "Cis -> trans conversion of formic acid by dissipative tunneling in solid rare gases: Influence of environment on the tunneling
rate", Journal of Chemical Physics 117, 20: 9095 - 9098.
|
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|
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| 176. |
Neves, M.; Gano, L.; Pereira, N.; Costa, M. C; Costa, M. R; Chandia, M.; Rosado, M. T. S; Fausto, R.. 2002. "Synthesis, characterization and biodistribution of bisphosphonates Sm-153 complexes: correlation with molecular modeling interaction
studies", Nuclear Medicine and Biology 29, 3: 329 - 338.
|
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|
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| 177. |
Bugalho, S. C. S; Macoas, E. M. S; Cristiano, M. L. S; Fausto, R.. 2001. "Low temperature matrix-isolation and solid state vibrational spectra of tetrazole", Physical Chemistry Chemical Physics 3, 17: 3541 - 3547.
|
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| 178. |
Cacela, C.; Fausto, R.; Duarte, M. L. 2001. "A combined matrix-isolation infrared spectroscopy and MO study of 1-amino-2-propanol", Vibrational Spectroscopy 26, 1: 113 - 131.
|
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|
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| 179. |
de Melo, J. S; Quinteiro, G.; Pina, J.; Breda, S.; Fausto, R.. 2001. "Spectroscopic characterization of alpha- and gamma-pyrones and their substituted 4-hydroxy and 4-methoxy derivatives: an integrated
infrared, photophysical and theoretical study", Journal of Molecular Structure 565, .: 59 - 67. |
|
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| 180. |
Fausto, R.; Macoas, E. M. S. 2001. "Photochemical reactivity of matrix-isolated monomeric carboxylic acids", Journal of Molecular Structure 563, .: 27 - 40.
|
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|
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| 181. |
Fausto, R.; Quinteiro, G.; Breda, S.. 2001. "Vibrational spectroscopy and ab initio MO study of the molecular structure and vibrational spectra of alpha- and gamma-pyrones", Journal of Molecular Structure 598, 2-3: 287 - 303.
|
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| 182. |
Jarmelo, S.; Maria, T. M. R; Leitao, M. L. P; Fausto, R.. 2001. "The low temperature crystalline and glassy states of methyl alpha-hydroxy-isobutyrate", Physical Chemistry Chemical Physics 3, 3: 387 - 392.
|
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| 183. |
Macoas, E. M. S; Fausto, R.; Lundell, J.; Pettersson, M.; Khriachtchev, L.; Rasanen, M.. 2001. "A matrix isolation spectroscopic and quantum chemical study of fumaric and maleic acid", Journal of Physical Chemistry A 105, 15: 3922 - 3933.
|
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| 184. |
Reva, I. D; Ilieva, S. V; Fausto, R.. 2001. "Conformational isomerism in methyl cyanoacetate: A combined matrix-isolation infrared spectroscopy and molecular orbital study", Physical Chemistry Chemical Physics 3, 19: 4235 - 4241.
|
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| 185. |
Reva, I. D; Stepanian, S. G; Adamowicz, L.; Fausto, R.. 2001. "Combined FTIR matrix isolation and ab initio studies of pyruvic acid: Proof for existence of the second conformer", Journal of Physical Chemistry A 105, 19: 4773 - 4780.
|
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|
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| 186. |
Turrell, S.; Barnes, A. J; Fausto, R.. 2001. "Preface - Molecular Spectroscopy and Molecular Structure 2000. Proceedings of the XXVth European Congress on Molecular Spectroscopy,
Coimbra, Portugal, August 27-September 1, 2000", Journal of Molecular Structure 563, .: XV - XVI. |
|
|
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| 187. |
Cacela, C.; Duarte, M. L; Fausto, R.. 2000. "Structural and vibrational characterisation of 3-amino-1-propanol a concerted SCF-MO ab initio, Raman and infrared (matrix
isolation and liquid phase) spectroscopy study", Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 56, 6: 1051 - 1064.
|
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|
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| 188. |
Fausto, R.; Cacela, C.; Duarte, M. L. 2000. "Vibrational analysis and structural implications of H-bonding in isolated and aggregated 2-amino-1-propanol: a study by MI-IR
and Raman spectroscopy and molecular orbital calculations", Journal of Molecular Structure 550, .: 365 - 388.
|
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| 189. |
Jarmelo, S.; Maria, T. M. R; Leitao, M. L. P; Fausto, R.. 2000. "Structural and vibrational characterization of methyl glycolate in the low temperature crystalline and glassy states", Physical Chemistry Chemical Physics 2, 6: 1155 - 1163.
|
|
|
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| 190. |
Macoas, E. M. S; Fausto, R.; Lundell, J.; Pettersson, M.; Khriachtchev, L.; Rasanen, M.. 2000. "Conformational analysis and near-infrared-induced rotamerization of malonic acid in an argon matrix", Journal of Physical Chemistry A 104, 50: 11725 - 11732.
|
|
|
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| 191. |
Macoas, E. M. S; Fausto, R.; Pettersson, M.; Khriachtchev, L.; Rasanen, M.. 2000. "Infrared-induced rotamerization of oxalic acid monomer in argon matrix", Journal of Physical Chemistry A 104, 30: 6956 - 6961.
|
|
|
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| 192. |
Fausto, R.; Macoas, E. M. S; Kulbida, A.. 1999. "Structure elucidation and photochemistry of substituted carboxylic compounds by low temperature matrix-isolation and solid
state vibrational spectroscopy", Journal of Molecular Structure 481, .: 83 - 99. |
|
|
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| 193. |
Fausto, R.; Ribeiro, M. J. S; de Lima, J. J. P. 1999. "A molecular orbital study on the conformational properties of dopamine 1,2-benzenediol-4(2-aminoethyl) and dopamine cation", Journal of Molecular Structure 484, 1-3: 181 - 196.
|
|
|
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| 194. |
Jarmelo, S.; Fausto, R.. 1999. "Molecular structure and vibrational spectra of methyl glycolate and methyl alpha-hydroxy isobutyrate", Journal of Molecular Structure 509, 1-3: 183 - 199.
|
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|
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| 195. |
Silva, C. F. P; Duarte, Mlts; Fausto, R.. 1999. "A concerted SCF-MO ab initio and vibrational spectroscopic study of the conformational isomerism in 2-aminoethanol", Journal of Molecular Structure 482, .: 591 - 599.
|
|
|
|
| 196. |
Neves, M.; Fausto, R.. 1999. "Prediction of 99mtc-biguanide complex structures and their interactions with biological molecules by molecular mechanics calculations", Nuclear Medicine and Biology 26, 1: 85 - 89.
|
|
|
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| 197. |
Fausto, R.; Duarte, Mlts; Moita, M. F. R; Frunza, L.; Beica, T.; Frunza, S.. 1998. "On the crystal-to-mesophase phase transition in copper(II) salts of even-chain fatty acids", Journal of Thermal Analysis and Calorimetry 53, 1: 133 - 139.
|
|
|
|
| 198. |
Formosinho, S. J; Arnaut, L. G; Fausto, R.. 1998. "A critical assessment of classical and semi-classical models for electron transfer reactions in solution", Progress in Reaction Kinetics and Mechanism 23, 1: 1 - 90. |
|
|
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| 199. |
Melo, Tmvdpe; Fausto, R.; Gonsalves, Amdr; Gilchrist, T. L. 1998. "Diels-Alder reactions of acyclic 2-azadienes: A semiempirical molecular orbital study", Journal of Organic Chemistry 63, 16: 5350 - 5355. |
|
|
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| 200. |
Neta, J. M. F; Fausto, R.. 1998. "Molecular structure and vibrational spectra of methyl cyanoacetate: an FT-IR, Raman and ab initio molecular orbital study", Journal of Molecular Structure 443, 1-3: 41 - 56.
|
|
|
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| 201. |
Stepanian, S. G; Reva, I. D; Radchenko, E. D; Rosado, M. T. S; Duarte, Mlts; Fausto, R.; Adamowicz, L.. 1998. "Matrix-isolation infrared and theoretical studies of the glycine conformers", Journal of Physical Chemistry A 102, 6: 1041 - 1054.
|
|
|
|
| 202. |
Rosado, M. T. S; Duarte, Mlts; Fausto, R.. 1998. "Vibrational spectra of acid and alkaline glycine salts", Vibrational Spectroscopy 16, 1: 35 - 54.
|
|
|
|
| 203. |
Fausto, R.; Matos-Beja, A. M; Paixao, J. A. 1997. "Molecular structure and charge density analysis of p-methoxybenzoic acid (anisic acid)", Journal of Molecular Structure 435, 3: 207 - 218.
|
|
|
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| 204. |
Rosado, M. T. S; Duarte, Mlrs; Fausto, R.. 1997. "Vibrational spectra (FT-IR, Raman and MI-IR) of alpha- and beta-alanine", Journal of Molecular Structure 410, .: 343 - 348.
|
|
|
|
| 205. |
Tonge, P. J; Carey, P. R; Fausto, R.. 1997. "Molecular structure of S-ethyl thioacrylate - Combined vibrational spectroscopic and ab initio SCF-MO study", Journal of the Chemical Society-Faraday Transactions 93, 20: 3619 - 3624.
|
|
|
|
| 206. |
daSilva, J. B. P; daCosta, N. B; Ramos, M. N; Fausto, R.. 1996. "Vibrational spectra and structure of the cis and trans conformers of methyl nitrite: An ab initio MO study", Journal of Molecular Structure 375, 1-2: 153 - 180.
|
|
|
|
| 207. |
Fausto, R.. 1996. "An infrared and Raman spectroscopic study of crystalline trans-crotonic acid", Journal of Molecular Structure 377, 2: 181 - 192.
|
|
|
|
| 208. |
Rosado, M. T. S; Duarte, Mlts; Fausto, R.. 1996. "Conformational isomerism in glycine and dithioglycine: A comparative molecular orbital study", Phosphorus Sulfur and Silicon and the Related Elements 116, .: 153 - 173.
|
|
|
|
| 209. |
Tonge, P. J; Fausto, R.; Carey, P. R. 1996. "FTIR studies of hydrogen bonding between alpha,beta-unsaturated esters and alcohols", Journal of Molecular Structure 379, .: 135 - 142.
|
|
|
|
| 210. |
Fausto, R.. 1996. "PF1/PF2: A Molecular Mechanics Force Field for Conformational Studies on Oxygen and Sulphur Compounds", Rev.Port.Quím.,, 3: 56 - .. |
|
|
|
| 211. |
Fausto, R.; Kulbida, A.; Schrems, O.. 1995. "UV-INDUCED ISOMERIZATION OF (E)-CROTONIC ACID - COMBINED MATRIX-ISOLATED IR AND AB-INITIO MO STUDY", Journal of the Chemical Society-Faraday Transactions 91, 21: 3755 - 3770.
|
|
|
|
| 212. |
Fausto, R.; Moita, M. F. R; Duarte, Mlts. 1995. "AN FT-IR SPECTROSCOPIC STUDY OF THE CRYSTALLINE AND COLUMNAR LIQUID-CRYSTALLINE PHASES OF COPPER(II) CARBOXYLATES", Journal of Molecular Structure 349, .: 439 - 442.
|
|
|
|
| 213. |
Galembeck, S. E; Fausto, R.. 1995. "AN ELECTRONIC AND VIBRATIONAL STUDY OF THE CYCLOPROPENYL ION AND ITS FLUORODERIVATIVES", Theochem-Journal of Molecular Structure 332, 1-2: 105 - 126. |
|
|
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| 214. |
Kulbida, A.; Ramos, M. N; Rasanen, M.; Nieminen, J.; Schrems, O.; Fausto, R.. 1995. "ROTATIONAL-ISOMERISM IN ACRYLIC-ACID - A COMBINED MATRIX-ISOLATED IR, RAMAN AND AB-INITIO MOLECULAR-ORBITAL STUDY", Journal of the Chemical Society-Faraday Transactions 91, 11: 1571 - 1585.
|
|
|
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| 215. |
Tonge, P. J; Anderson, V. E; Fausto, R.; Kim, M.; PusztaiCarey, M.; Carey, P. R. 1995. "Localized electron polarization in a substrate analog binding to the active site of enoyl-CoA hydratase: Raman spectroscopic
and conformational analyses of rotamers of hexadienoyl thiolesters", Biospectroscopy 1, 6: 387 - 394.
|
|
|
|
| 216. |
Dasilva, J. B. P; Moura, G. L. C; Ramos, M. N; Teixeiradias, J. J. C; Fausto, R.. 1994. "HYDROGEN-BONDED COMPLEXES OF ALPHA, BETA-UNSATURATED CARBOXYLIC ESTERS WITH PHENOLS - A MOLECULAR MECHANICS STUDY", Journal of Molecular Structure 317, 1-2: 157 - 164.
|
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|
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| 217. |
Fausto, R.. 1994. "CALCULATION OF VIBRATIONAL FREQUENCIES OF SULFUR-COMPOUNDS USING SEMIEMPIRICAL MOLECULAR-ORBITAL METHODS (AM1, PM3, MNDO)", Journal of Molecular Structure 323, .: 267 - 277.
|
|
|
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| 218. |
Fausto, R.. 1994. "BANDING IN CARBONYL AND THIOCARBONYL COMPOUNDS - AN AB-INITIO CHARGE-DENSITY STUDY OF H2C=X AND HC(=X)YH (X, Y=O OR S)", Journal of Molecular Structure-Theochem 121, .: 123 - 136. |
|
|
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| 219. |
Fausto, R.; Martins, A. G; Teixeiradias, J. J. C; Tonge, P. J; Carey, P. R. 1994. "ROTATIONAL-ISOMERISM IN CH3C(=S-SCH3 AND CH3C(=S)-S-CH2CH3 - A COMBINED VIBRATIONAL SPECTROSCOPIC AND AB-INITIO STUDY", Journal of Molecular Structure 323, .: 59 - 69.
|
|
|
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| 220. |
Fausto, R.; Martins, A. G; Teixeiradias, J. J. C; Tonge, P. J; Carey, P. R. 1994. "ROTATIONAL-ISOMERISM IN CH3CH2-C(=S)SR (R=CH3, CH2CH3) - A COMBINED VIBRATIONAL SPECTROSCOPIC AND AB-INITIO STUDY", Journal of Physical Chemistry 98, 14: 3592 - 3600.
|
|
|
|
| 221. |
Fausto, R.; Tonge, P. J; Carey, P. R. 1994. "MOLECULAR-STRUCTURES OF CIS-S-ETHYL AND TRANS-S-ETHYL THIOCROTONATE - A COMBINED VIBRATIONAL SPECTROSCOPIC AND AB-INITIO SCF-MO
STUDY", Journal of the Chemical Society-Faraday Transactions 90, 23: 3491 - 3503.
|
|
|
|
| 222. |
Fausto, R.; Teixeiradias, J. J. C; Tonge, P. J; Carey, P. R. 1994. "ROTATIONAL ISOMERS OF N-(BETA-PHENYLPROPIONYL)ALANINE ETHYL DITHIOESTER - A RAMAN-SPECTROSCOPIC AND MO STUDY", Journal of Molecular Structure 324, 1-2: 113 - 122.
|
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|
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| 223. |
Gil, Fpsc; Fausto, R.; Dacosta, A. M. A; Teixeiradias, J. J. C. 1994. "STRUCTURES AND VIBRATIONAL-SPECTRA OF CH3OCH2CH2OH - THE HYDROGEN-BONDED CONFORMERS", Journal of the Chemical Society-Faraday Transactions 90, 5: 689 - 695.
|
|
|
|
| 224. |
Moita, M. F. R; Duarte, Mlts; Fausto, R.. 1994. "AN INFRARED SPECTROSCOPIC STUDY OF CRYSTALLINE COPPER (II) PROPIONATE AND BUTYRATE", Spectroscopy Letters 27, 10: 1421 - 1430.
|
|
|
|
| 225. |
Moita, M. F. R; Duarte, Mlts; Fausto, R.. 1994. "INVESTIGATION OF THE STRUCTURE OF THE COLUMNAR LIQUID-CRYSTALLINE PHASE OF COPPER(II) CARBOXYLATES - AN FTIR SPECTROSCOPIC
STUDY", Journal of the Chemical Society-Faraday Transactions 90, 19: 2953 - 2960.
|
|
|
|
| 226. |
Fausto, R.; Teixeira-Dias, J. J. C; daCosta, N. B; Simas, A.M.; Ramos, M. N. 1994. "The Thiol/Thiono Tautomerism in Thioformic Acid: A Molecular Orbital Study", Quím.Nova 17, 2: 104 - 110. |
|
|
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| 227. |
Fausto, R.; Teixeiradias, J. J. C; Gil, Fpsc. 1993. "CONFORMERS, VIBRATIONAL-SPECTRA AND LASER-INDUCED ROTAMERIZATION OF CH2CLCOOH", Journal of the Chemical Society-Faraday Transactions 89, 17: 3235 - 3241.
|
|
|
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| 228. |
Kulbida, A.; Fausto, R.. 1993. "CONFORMERS, VIBRATIONAL-SPECTRA AND INFRARED-INDUCED ROTAMERIZATION OF DICHLOROACETIC ACID IN ARGON AND KRYPTON MATRICES", Journal of the Chemical Society-Faraday Transactions 89, 24: 4257 - 4266.
|
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|
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| 229. |
Torres, Gsfd; Pouchan, C.; Teixeiradias, J. J. C; Fausto, R.. 1993. "HYDROGEN-BONDING BETWEEN SUBSTITUTED PHENOLS AND CH3COOCH3 OR CH2CLCOOCH3 - AN FTIR SPECTROSCOPIC STUDY", Spectroscopy Letters 26, 5: 913 - 922.
|
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|
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| 230. |
Teixeiradias, J. J. C; Fausto, R.. 1993. "MOLECULAR-STRUCTURE OF METHYL ACRYLATE - THE HIGH-ENERGY S-TRANS-(C-O) CONFORMER", Theochem-Journal of Molecular Structure 101, 1-2: 123 - 129. |
|
|
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| 231. |
Fausto, R.; Decarvalho, Laeb; Teixeiradias, J. J. C. 1992. "CONFORMATIONAL-ANALYSIS OF CARBONYL AND THIOCARBONYL ETHYL-ESTERS - THE HC(=X)Y-CH2CH3 (X, Y = O OR S) INTERNAL-ROTATION", Journal of Computational Chemistry 13, 7: 799 - 809.
|
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|
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| 232. |
Teixeiradias, J. J. C; Fausto, R.; Decarvalho, Laeb. 1992. "CONFORMATIONAL-ANALYSIS OF CARBONYL AND THIOCARBONYL ESTERS - THE HC(= X)Y- CH(CH3)2 (X,Y = O OR S) INTERNAL-ROTATION", Journal of Molecular Structure-Theochem 94, .: 87 - 103. |
|
|
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| 233. |
Dulce, M.; Faria, G.; Teixeiradias, J. J. C; Fausto, R.. 1991. "ROTATIONAL ISOMERS OF METHYL TRANS-CINNAMATE - A RAMAN-STUDY", Journal of Raman Spectroscopy 22, 9: 519 - 523. |
|
|
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| 234. |
Faria, M. D. G; Teixeiradias, J. J. C; Fausto, R.. 1991. "CONFORMATIONAL STABILITY FOR METHYL ACRYLATE - A VIBRATIONAL SPECTROSCOPIC AND ABINITIO MO STUDY", Vibrational Spectroscopy 2, 1: 43 - 60.
|
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|
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| 235. |
Faria, M. D. G; Teixeiradias, J. J. C; Fausto, R.. 1991. "VIBRATIONAL-SPECTRA AND STRUCTURE OF METHYL TRANS-CROTONATE", Vibrational Spectroscopy 2, 2-3: 107 - 123.
|
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|
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| 236. |
Faria, M. D. G; Teixeiradias, J. J. C; Fausto, R.. 1991. "HYDROGEN-BONDING INVOLVING ALPHA,BETA-UNSATURATED CARBOXYLIC ESTERS AND SUBSTITUTED PHENOLS - AN INFRARED SPECTROSCOPIC STUDY", Journal of Molecular Structure 263, .: 87 - 94.
|
|
|
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| 237. |
Fausto, R.; Teixeiradias, J. J. C; Carey, P. R. 1991. "ELUCIDATION OF THE CONFORMATIONAL PROPERTIES OF N-FORMYLGLYCINE DITHIO ACID BY ABINITIO SCF-MO CALCULATIONS", Journal of the American Chemical Society 113, 7: 2471 - 2476.
|
|
|
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| 238. |
Fausto, R.; Teixeiradias, J. J. C. 1991. "NBI - A FORTRAN PROGRAM FOR MOLECULAR MECHANICS CALCULATIONS ON A MICROCOMPUTER", Computers & Chemistry 15, 2: 175 - 177.
|
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|
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| 239. |
Ramos, M. N; Fausto, R.; Teixeiradias, J. J. C; Castiglioni, C.; Gussoni, M.; Zerbi, G.. 1991. "ATOMIC CHARGES AND CHARGE FLUXES IN CIS AND TRANS-C2H2F2, C2H2CL2 - AN ABINITIO STUDY", Journal of Molecular Structure 248, 3-4: 281 - 288.
|
|
|
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| 240. |
Teixeiradias, J. J. C; Fausto, R.; Decarvalho, Laeb. 1991. "THE C-ALPHA-C INTERNAL-ROTATION IN ALPHA-ALKYL SUBSTITUTED CARBONYLS AND THIOCARBONYLS - CH(CH3)2C(=X)YH (X,Y=O OR S)", Journal of Computational Chemistry 12, 9: 1047 - 1057.
|
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|
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| 241. |
Decarvalho, Laeb; Teixeiradias, J. J. C; Fausto, R.. 1990. "THE CH3CH2-INTERNAL ROTATION IN THIOPROPIONIC ACID AS STUDIED BY ABITIO SCF-MO METHOD", Journal of Molecular Structure-Theochem 67, 1-2: 109 - 121. |
|
|
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| 242. |
Fausto, R.; Decarvalho, Laeb; Teixeiradias, J. J. C. 1990. "MOLECULAR-STRUCTURE AND PROPERTIES OF THIOACETIC ACID", Journal of Molecular Structure-Theochem 66, 1-2: 67 - 83. |
|
|
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| 243. |
Batista de C. L. A. E; Teixeira-Dias, J. J. C; Fausto, R.. 1990. "A molecular mechanics force field for conformational analysis of aliphatic acyclic amines", Structural Chemistry 1, 6: 533 - 542.
|
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| 244. |
Fausto, R.; Decarvalho, Laeb; Teixeiradias, J. J. C; Ramos, M. N. 1989. "S-CIS AND S-TRANS CONFORMERS OF FORMIC, THIOFORMIC AND DITHIOFORMIC ACIDS - AN ABINITIO STUDY", Journal of the Chemical Society-Faraday Transactions Ii 85, .: 1945 - 1962.
|
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|
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| 245. |
Fausto, R.; Teixeiradias, J. J. C; Carey, P. R. 1989. "A MOLECULAR MECHANICS FORCE-FIELD FOR CONFORMATIONAL-ANALYSIS OF SIMPLE THIOCARBONYL COMPOUNDS", Journal of Molecular Structure 212, .: 61 - 86.
|
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|
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| 246. |
Teixeiradias, J. J. C; Fausto, R.. 1989. "RAMAN-SPECTROSCOPY AND MOLECULAR MECHANICS IN THE INVESTIGATION OF MOLECULAR-STRUCTURE - CALCIUM, STRONTIUM, BARIUM AND COPPER(II)
MONOCHLOROACETATES", Pure and Applied Chemistry 61, 5: 959 - 966.
|
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|
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| 247. |
Fausto, R.; Teixeiradias, J. J. C; Carey, P. R. 1988. "ABINITIO STRUCTURAL AND CONFORMATIONAL STUDIES OF THIOACETONE AND THIOPROPIONALDEHYDE", Theochem-Journal of Molecular Structure 45, .: 179 - 189. |
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| 248. |
Fausto, R.; Teixeiradias, J. J. C; Ramos, M. N. 1988. "RELATIVE STABILITY, POTENTIAL BARRIER AND INTENSITY PARAMETERS OF THE TRANS AND CIS ISOMERS OF FLUOROACETYL FLUORIDE - AN
ABINITIO STUDY", Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 44, 1: 47 - 52.
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| 249. |
Fausto, R.; Teixeiradias, J. J. C; Carey, P. R. 1987. "ABINITIO STRUCTURAL AND CONFORMATIONAL STUDIES OF HCSSH, CH3CSSH AND HCSSCH3", Theochem-Journal of Molecular Structure 37, 1-2: 119 - 135. |
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| 250. |
Fausto, R.; Teixeiradias, J. J. C. 1987. "A COMPARATIVE ABINITIO STUDY OF METHYL FORMATE, METHYL THIOLFORMATE AND METHYL THIONOFORMATE", Theochem-Journal of Molecular Structure 35, 3-4: 381 - 389. |
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| 251. |
Fausto, R.; Teixeiradias, J. J. C; Carey, P. R. 1987. "A MOLECULAR MECHANICS FORCE-FIELD FOR CONFORMATIONAL-ANALYSIS OF ALKANETHIOLS AND THIOETHERS", Journal of Molecular Structure 159, 1-2: 137 - 152.
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| 252. |
Fausto, R.; Teixeira-Dias, J.J.C.; Carey, P.R.. 1987. "A molecular mechanics force field for conformational analysis of alkanethiols and thioethers", Journal of Molecular Structure 159, 1-2: 137 - 152.
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| 253. |
Teixeira-Dias, J. J. C; Fausto, R.. 1987. "Conformational Studies of Carbonyl and Thiocarbonyl Compounds", Rev.Port.Quím., 29: 47 - .. |
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| 254. |
Fausto, R.; Teixeiradias, J. J. C. 1986. "CONFORMATIONAL AND VIBRATIONAL SPECTROSCOPIC ANALYSIS OF CHCL2COCL, CHCL2COOH, CHCL2COOCH3 AND CCL3COCL, CCL3COOH, CCL3COOCH3", Journal of Molecular Structure 144, 3-4: 241 - 263.
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| 255. |
Fausto, R.; Teixeiradias, J. J. C. 1986. "CONFORMATIONAL-ANALYSIS AND TRENDS IN CARBONYL STRETCHING FREQUENCIES OF CCLH2COCL, CCLH2COOH AND CCLH2COOCH3 - A MOLECULAR
MECHANICS AND VIBRATIONAL SPECTROSCOPIC STUDY", Journal of Molecular Structure 144, 3-4: 225 - 240.
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| 256. |
Fausto, R.; Teixeiradias, J. J. C. 1986. "THE HIGH-ENERGY S-TRANS CONFORMERS OF CH3COOH AND CH3COOCH3 - A MOLECULAR MECHANICS AND VIBRATIONAL STUDY OF CH3COCL, CH3COOH
AND CH3COOCH3", Journal of Molecular Structure 144, 3-4: 215 - 223.
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| 257. |
Teixeiradias, J. J. C; Fausto, R.. 1986. "A MOLECULAR MECHANICS FORCE-FIELD FOR CONFORMATIONAL-ANALYSIS OF SIMPLE ACYL CHLORIDES, CARBOXYLIC-ACIDS AND ESTERS", Journal of Molecular Structure 144, 3-4: 199 - 213.
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Trabalhos completos/resumidos em eventos com arbitragem científica
Papers in conference proceedings with scientific refereeing |
| 1. |
Sharma, A.; Fausto, R.; Pal, Rumpa; Guru Row, T. N; Krishna Kumarm, V. 2012. "Vibrational and Nonlinear Optical Study on Hydroxyethylammonium Picrate (HEAP) Single Crystal", Trabalho apresentado em 56th DAE Solid State Physics Symposium, In Proceedings of the 56th DAE Solid State Physics Symposium, Kattankulathu. |
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| 2. |
Kus, N.; Fausto, R.. 2011. "Matrix Isolation Infrared Spectroscopy in the Study of Photoisomerization Reactions of Oxygen Containing Heterocycles", Trabalho apresentado em Intl. Sci. Conference devoted to 50th Anniversary of Union of Scientists , In Proc. 21st Intl. Sci. Conference devoted to 50th Anniversary of Union of Scientists, Stara Zagora. |
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| 3. |
Sharma, A.; Reva, I.; Fausto, R.. 2010. "Low Temperature FTIR Spectroscopy: The Case Study of Hydroxyacetone", Trabalho apresentado em International Conference on Recent Frontiers in Applied Spectroscopy, In Proceedings of the International Conference on Recent Frontiers in Applied Spectroscopy, Chidambaram, India. |
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| 4. |
Fonseca, A. C; Jarmelo, S.; Carvalho, R. A; Fausto, R.; Gil, M. H; Simoes, P.. 2008. "Looking Toward New Biomolecules: IR and 1H NMR Spectroscopies and DFT Calculations on Na-Benzoyl-L-Arginine Ethyl Ester Hydrochloride", Trabalho apresentado em International Chemical Engineering Conference - ChemPor'2008, In Proceedings of the 10th International Chemical Engineering Conference - ChemPor'2008, University of Minho. |
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| 5. |
Simoes, P. N; Reva, I.; Pedroso, L. M; Matos-Beja, A. M; Ramos Silva, M; Fausto, R.; Portugal, A. A. 2005. "Crystal and molecular structure of 4,6-bis(nitroimino)-1,3,5-triazinan-2-one: theoretical, X-ray and infrared studies", Trabalho apresentado em 9th, International Chemical Engineering Conference; Chempor 2005 , In Proceedings of the 9th, International Chemical Engineering Conference; Chempor 2005 , Coimbra. |
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| 6. |
Neves, M.; Fausto, R.. 1998. "Computational Chemistry and Metal-Based Radiopharmaceuticals", Trabalho apresentado em International Simposium on Modern Trends in Radiopharmaceuticals for Diagnosis and Therapy, In Modern Trends in Radiopharmaceuticals for Diagnosis and Therapy, Lisbon. |
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| 7. |
Fausto, R.. 1996. "Conformational Isomerism and Photodecomposition of Carboxylic Compounds Studied by Matrix Isolation Infrared Spectroscopy", Trabalho apresentado em NATO ASI SERIES C MATHEMATICAL AND PHYSICAL SCIENCES, In NATO Advanced Study Institute, Low temperature molecular spectroscopy , .. |
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| 8. |
Fausto, R.; Dulce, M.; Teixeira-Dias, J. J. C. 1992. "Rotational Isomers of Methyl Trans-Crotonate: a Combined Vibrational Spectroscopic / MO Study", Trabalho apresentado em 2nd International Workshop on Fourier IR Spectroscopy, In Proceedings of the 2nd International Workshop on Fourier IR Spectroscopy, Antuérpiaa. |
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Indicadores de produção
(Production indicators)
Produção científica
Scientific production |
Produção científica
Scientific production |
267 |
Livros e capítulos
Books and book chapters |
2 |
Capítulos de livros publicados
Published book chapters |
2 |
Artigos científicos em revistas
Papers in periodics |
257 |
Com arbitragem científica
With scientific refereeing |
257 |
Trabalhos em eventos
Papers in conference proceedings |
8 |
Com arbitragem científica
With scientific refereeing |
8 |
|
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