António Joaquim de Campos de Varandas Publicou 326 artigos em revistas especializadas. Actua na área de Química Nas suas actividades profissionais interagiu com 235 colaboradores em co-autorias de trabalhos científicos.
Endereço de acesso a este CV: http://www.degois.pt/visualizador/curriculum.jsp?key=2221482401221225

Nome completo Full name	António Joaquim de Campos de Varandas
Nome em citações bibliográficas Quoting name	Varandas, António Joaquim de Campos de
Domínio científico de atuação Scientific domain	Ciências Exactas-Química.

Artigos em revistas com arbitragem científica Papers in periodics with scientific refereeing

1.	Adhikari, Satrajit; Varandas, A. J. C. 2013. "The coupled 3D wave packet approach for triatomic reactive scattering in hyperspherical coordinates", Computer Physics Communications 184, 2: 270 - 283.

2.	Caridade, P. J. S. B; Horta, J. Z. J; Varandas, A. J. C. 2013. "Implications of the O+OH reaction in hydroxyl nightglow modeling", Atmospheric Chemistry and Physics 13, 1: 1 - 13.

3.	Varandas, A. J. C. 2013. "Accurate combined-hyperbolic-inverse-power-representation of ab initio potential energy surface for the hydroperoxyl radical and dynamics study of O plus OH reaction", Journal of Chemical Physics 138, 13: 34117 - 34117.

4.	Varandas, A. J. C. 2013. "Combined-hyperbolic-inverse-power-representation of potential energy surfaces: A preliminary assessment for H[sub 3] and HO[sub 2]", The Journal of Chemical Physics 138, 5: 054120 - 054120.

5.	Patrício, M.; Santos, J. L; Patrício, F.; Varandas, A. J. C. 2013. "Roadmap to spline-fitting potentials in high dimensions", Journal of Mathematical Chemistry, in press: XXX - XXX.

6.	Varandas, A. J. C. 2013. " Accurate Determination of the Reaction Course in HY 2 ¿ Y + YH (Y = O, S): Detailed Analysis of the Covalent- to Hydrogen-Bonding Transition ", The Journal of Physical Chemistry A, in press: XX - XX.

7.	Galvão, B. R. L; Varandas, A. J. C. 2013. " Accurate Study of the Two Lowest Singlet States of HN 3 : Stationary Structures and Energetics at the MRCI Complete Basis Set Limit ", The Journal of Physical Chemistry A 117, 19: 4044 - 4050.

8.	Galvão, B.R.L.; Varandas, A.J.C.; Braga, J.P.; Belchior, J.C.. 2013. "Vibrational energy transfer in collisions: a quasiclassical trajectory study", Chemical Physics Letters, in press: XXX - XXX.

9.	Li, Jing; Varandas, A. J. C. 2012. "Accurate ab-Initio-Based Single-Sheeted DMBE Potential-Energy Surface for Ground-State N2O", Journal of Physical Chemistry A 116, 18: 4646 - 4656.

10.	Li, Yong Q; Varandas, A. J. C. 2012. "Accurate ab initio-based double many-body expansion adiabatic potential energy surface for the 22 A' state of NH2 by extrapolation to the complete basis set limit", International Journal of Quantum Chemistry 112, 17: 2932 - 2939.

11.	Mota, V. C; Caridade, P. J. S. B; Varandas, A. J. C. 2012. "Ab Initio-Based Global Double Many-Body Expansion Potential Energy Surface for the First (2)A '' Electronic State of NO2", Journal of Physical Chemistry A 116, 11: 3023 - 3034.

12.	Sarkar, Biplab; Varandas, A. J. C. 2012. "Dynamics study of a three-fold pseudo-Jahn-Teller system using the extended Longuet-Higgins formalism", Journal of Chemical Sciences 124, 1: 115 - 120.

13.	Varandas, A. J. C. 2012. "Ab Initio Treatment of Bond-Breaking Reactions: Accurate Course of HO3 Dissociation and Revisit to Isomerization", Journal of Chemical Theory and Computation 8, 2: 428 - 441.

14.	Viegas, L. P; Varandas, A. J. C. 2012. "A detailed test study of barrier heights for the HO2 + H2O + O3 reaction with various forms of multireference perturbation theory", The Journal of Chemical Physics 136, 11: 114312 - 114312.

15.	Viegas, Luís P; Varandas, A. J. C. 2012. "Can water be a catalyst on the HO2+H2O+O3 reactive cluster?", Chemical Physics 399, .: 17 - 22.

16.	Galva~o, B. R. L; Caridade, P. J. S. B; Varandas, A. J. C. 2012. "N(4S¿/2D)+N2: Accurate ab initio-based DMBE potential energy surfaces and surface-hopping dynamics", The Journal of Chemical Physics 137, 22: 22A515 - 22A515.

17.	Srivastava, S.; Sathyamurthy, N.; Varandas, A.J.C.. 2012. "An accurate ab initio potential energy curve and the vibrational bound states of state of", Chemical Physics 398, .: 160 - 167.

18.	Galvao, B. R. L; Corzo-Espinoza, J. A; Caridade, P. J. S. B; Varandas, A. J. C. 2011. "Quasiclassical Trajectory Study of the Rotational Distribution for the O + NO(v=0) Fundamental Vibrational Excitation", International Journal of Chemical Kinetics 43, 7: 345 - 352.

19.	Galvao, B. R. L; Varandas, A. J. C. 2011. "Ab Initio Based Double-Sheeted DMBE Potential Energy Surface for N-3((2)A '') and Exploratory Dynamics Calculations", Journal of Physical Chemistry A 115, 44: 12390 - 12398.

20.	Hankel, M.; Smith, S. C; Varandas, A. J. C. 2011. "Anatomy of the S(D-1)+H-2 reaction: the dynamics on two new potential energy surfaces from quantum dynamics calculations", Physical Chemistry Chemical Physics 13, 30: 13645 - 13655.

21.	Joseph, S.; Caridade, P. J. S. B; Varandas, A. J. C. 2011. "Quasiclassical Trajectory Study of the C(D-1)+H-2 Reaction and Isotopomeric Variants: Kinetic Isotope Effect and CD/CH Branching Ratio", Journal of Physical Chemistry A 115, 27: 7882 - 7890.

22.	Mota, V. C; Caridade, P. J. S. B; Varandas, A. J. C. 2011. "Toward the Modeling of the NO2((2)A '') Manifold", International Journal of Quantum Chemistry 111, 14: 3776 - 3785.

23.	Rodrigues, S. P. J; Fontes, A. C. G; Li, Y. Q; Varandas, A. J. C. 2011. "Refining to near spectroscopic accuracy the double many-body expansion potential energy surface for ground-state NH2", Chemical Physics Letters 516, 1-3: 17 - 22.

24.	Song, Y. Z; Varandas, A. J. C. 2011. "Accurate Double Many-Body Expansion Potential Energy Surface for Ground-State HS2 Based on ab Initio Data Extrapolated to the Complete Basis Set Limit", Journal of Physical Chemistry A 115, 21: 5274 - 5283.

25.	Sarkar, B.; Varandas, A. J. C. 2011. "A study of the geometrical phase effect on scattering processes: Validity of the extended-Longuet-Higgins formalism for a four-fold Jahn-Teller type model system", Chemical Physics 389, 1-3: 81 - 87.

26.	Varandas, A. J. C. 2011. "Helium-Fullerene Pair Interactions: An Ab Initio Study by Perturbation Theory and Coupled Cluster Methods", International Journal of Quantum Chemistry 111, 2: 416 - 429.

27.	Varandas, A. J. C. 2011. "On the stability of the elusive HO3 radical", Physical Chemistry Chemical Physics 13, 34: 15619 - 15623.

28.	Varandas, A. J. C. 2011. "Is HO3 minimum cis or trans? An analytic full-dimensional ab initio isomerization path", Physical Chemistry Chemical Physics 13, 20: 9796 - 9811.

29.	Varandas, A. J. C; Viegas, L. P. 2011. "The HO2+O-3 reaction: Current status and prospective work", Computational and Theoretical Chemistry 965, 2-3: 291 - 297.

30.	Varandas, A. J. C; Sarkar, B.. 2011. "Generalized Born-Oppenheimer treatment of Jahn-Teller systems in Hilbert spaces of arbitrary dimension: theory and application to a three-state model potential", Physical Chemistry Chemical Physics 13, 18: 8131 - 8135.

31.	Hankel, M.; Smith, S. C; Varandas, A. J. C. 2011. " Quantum calculations for the S( 1 D )+H 2 reaction employing the ground adiabatic electronic state ", Physica Scripta 84, 2: 028102 - 028102.

32.	Yang, Huan; Hankel, Marlies; Zheng, Yujun; Varandas, A. J. C. 2011. "Significant nonadiabatic effects in the C + CH reaction dynamics", The Journal of Chemical Physics 135, 2: 024306 - 024306.

33.	Lara, Manuel; Jambrina, P. G; Varandas, A. J. C; Launay, J.-M.; Aoiz, F. J. 2011. "On the role of dynamical barriers in barrierless reactions at low energies: S(1D) + H2", The Journal of Chemical Physics 135, 13: 134313 - 134313.

34.	Mondal, T.; Varandas, A. J. C. 2011. "The Jahn-Teller effect in the triply degenerate electronic state of methane radical cation", The Journal of Chemical Physics 135, 17: 174304 - 174304.

35.	Caridade, P. J. S. B; Galvao, B. R. L; Varandas, A. J. C. 2010. "Quasiclassical Trajectory Study of Atom-Exchange and Vibrational Relaxation Processes in Collisions of Atomic and Molecular Nitrogen", Journal of Physical Chemistry A 114, 19: 6063 - 6070.

36.	Han, Boran; Yang, Huan; Zheng, Yujun; Varandas, A. J. C. 2010. "Quasi-classical trajectory and quantum mechanics study of the reaction H(S-2) + NH -> N(S-4) + H-2", Chemical Physics Letters 493, 4-6: 225 - 228.

37.	Joseph, S.; Varandas, A. J. C. 2010. "Ab initio Based DMBE Potential Energy Surface for the Ground Electronic State of the C2H Molecule", Journal of Physical Chemistry A 114, 7: 2655 - 2664.

38.	Li, Y. Q; Varandas, A. J. C. 2010. "Ab-Initio-Based Global Double Many-Body Expansion Potential Energy Surface for the Electronic Ground State of the Ammonia Molecule", Journal of Physical Chemistry A 114, 24: 6669 - 6680.

39.	Joseph, S.; Varandas, A. J. C. 2010. "Accurate MRCI and CC Study of the Most Relevant Stationary Points and Other Topographical Attributes for the Ground-State C2H2 Potential Energy Surface", Journal of Physical Chemistry A 114, 50: 13277 - 13287.

40.	Li, Y. Q; Varandas, A. J. C. 2010. "Accurate Potential Energy Surface for the 1(2)A ' State of NH2: Scaling of External Correlation Versus Extrapolation to the Complete Basis Set Limit", Journal of Physical Chemistry A 114, 36: 9644 - 9654.

41.	Poveda, L. A; Varandas, A. J. C. 2010. "Ab Initio Study of Hydrazinyl Radical: Toward a DMBE Potential Energy Surface", Journal of Physical Chemistry A 114, 43: 11663 - 11669.

42.	Varandas, A. J. C. 2010. "Geometrical phase effect in Jahn-Teller systems: Twofold electronic degeneracies and beyond", Chemical Physics Letters 487, 1-3: 139 - 146.

43.	Varandas, A. J. C. 2010. "Extrapolation to the Complete Basis Set Limit without Counterpoise. The Pair Potential of Helium Revisited", Journal of Physical Chemistry A 114, 33: 8505 - 8516.

44.	Viegas, Luis P; Branco, Adriana; Varandas, A. J. C. 2010. "How Well Can Kohn-Sham DFT Describe the HO2 + O-3 Reaction?", Journal of Chemical Theory and Computation 6, 9: 2751 - 2761.

45.	Viegas, Luis P; Varandas, A. J. C. 2010. "HO2 + O-3 Reaction: Ab Initio Study and Implications in Atmospheric Chemistry", Journal of Chemical Theory and Computation 6, 2: 412 - 420.

46.	Yang, Huan; Varandas, A. J. C. 2010. "Adiabatic quantum dynamics calculations of the rate constant for the N plus NH -> N-2 + H reaction", Chemical Physics Letters 497, 4-6: 159 - 162.

47.	Zhang, Lei; Luo, Pingya; Zeng, Rong; Caridade, Pedro J. S. B; Varandas, A. J. C. 2010. "Dynamics study of the atmospheric reaction involving vibrationally excited O-3 with OH", Physical Chemistry Chemical Physics 12, 37: 11362 - 11370.

48.	Yang, Huan; Hankel, M.; Varandas, A. J. C; Han, Keli. 2010. "Nonadiabatic quantum dynamics calculations for the N + NH ¿ N2 + H reaction", Physical Chemistry Chemical Physics 12, 33: 9619 - 9619.

49.	Varandas, A. J. C. 2010. "Spin-component-scaling second-order Mo¿ller–Plesset theory and its variants for economical correlation energies: Unified theoretical interpretation and use for quartet N[sub 3]", The Journal of Chemical Physics 133, 6: 064104 - 064104.

50.	Ballester, M. Y; Varandas, A. J. C. 2009. "Theoretical Study of the O plus HSO Reaction", International Journal of Chemical Kinetics 41, 7: 455 - 462.

51.	Chu, Tian-Shu; Varandas, A. J. C; Han, Ke-Li. 2009. "Nonadiabatic effects in D+ + H-2 and H+ + D-2", Chemical Physics Letters 471, 4-6: 222 - 228.

52.	Galvao, B. R. L; Varandas, A. J. C. 2009. "Accurate Double Many-Body Expansion Potential Energy Surface for N-3((4)A") from Correlation Scaled ab Initio Energies with Extrapolation to the Complete Basis Set Limit", Journal of Physical Chemistry A 113, 52: 14424 - 14430.

53.	Joseph, S.; Varandas, A. J. C. 2009. "Accurate Double Many-Body Expansion Potential Energy Surface for the Lowest Singlet State of Methylene", Journal of Physical Chemistry A 113, 16: 4175 - 4183.

54.	Mota, V. C; Caridade, P. J. S. B; Varandas, A. J. C. 2009. "DIABATIC ELECTRONIC MANIFOLD OF HN2((2)A ') AND N plus NH REACTION DYNAMICS ON ITS LOWEST ADIABAT", Journal of Theoretical & Computational Chemistry 8, 5: 849 - 859.

55.	Song, Y. Z; Caridade, P. J. S. B; Varandas, A. J. C. 2009. "Potential Energy Surface for Ground-State H2S via Scaling of the External Correlation, Comparison with Extrapolation to Complete Basis Set Limit, and Use in Reaction Dynamics", Journal of Physical Chemistry A 113, 32: 9213 - 9219.

56.	Varandas, A. J. C. 2009. "A simple, yet reliable, direct diabatization scheme. The (1)Sigma(+)(g) states of C-2", Chemical Physics Letters 471, 4-6: 315 - 321.

57.	Varandas, A. J. C. 2009. "Moller-Plesset Perturbation Energies and Distances for HeC20 Extrapolated to the Complete Basis Set Limit", Journal of Computational Chemistry 30, 3: 379 - 388.

58.	Song, Y. Z; Varandas, A. J. C. 2009. "Accurate ab initio double many-body expansion potential energy surface for ground-state H[sub 2]S by extrapolation to the complete basis set limit", The Journal of Chemical Physics 130, 13: 134317 - 134317.

59.	Poveda, L. A; Biczysko, M.; Varandas, A. J. C. 2009. "Accurate ab initio based DMBE potential energy surface for the ground electronic state of N[sub 2]H[sub 2]", The Journal of Chemical Physics 131, 4: 044309 - 044309.

60.	Varandas, A. J. C. 2009. "Accurate ab initio potential energy curves for the classic Li–F ionic-covalent interaction by extrapolation to the complete basis set limit and modeling of the radial nonadiabatic coupling", The Journal of Chemical Physics 131, 12: 124128 - 124128.

61.	Ballester, M. Y; Varandas, A. J. C. 2008. "Dynamics and kinetics of the S+HO2 reaction: A theoretical study", International Journal of Chemical Kinetics 40, 9: 533 - 540.

62.	Caridade, P. J. S. B; Mota, V. C; Mohallem, J. R; Varandas, A. J. C. 2008. "A theoretical study of rate coefficients for the O+NO vibrational relaxation", Journal of Physical Chemistry A 112, 5: 960 - 965.

63.	Junqueira, G. M. A; Varandas, A. J. C. 2008. "Extrapolating to the One-Electron Basis Set Limit in Polarizability Calculations", Journal of Physical Chemistry A 112, 41: 10413 - 10419.

64.	Mota, Vinicius C; Varandas, A. J. C. 2008. "HN2((2)A ') electronic manifold. II. Ab initio based double-sheeted DMBE potential energy surface via a global diabatization angle", Journal of Physical Chemistry A 112, 16: 3768 - 3786.

65.	Piecuch, Piotr; Wloch, Marta; Varandas, A. J. C. 2008. "Application of renormalized coupled-cluster methods to potential function of water", Theoretical Chemistry Accounts 120, 1-3: 59 - 78.

66.	Song, Y. Z; Kinal, A.; Caridade, P. J. S. B; Varandas, A. J. C; Piecuch, P.. 2008. "A comparison of single-reference coupled-cluster and multi-reference configuration interaction methods for representative cuts of the H2S((1)A ') potential energy surface", Journal of Molecular Structure-Theochem 859, 1-3: 22 - 29.

67.	Varandas, A. J. C. 2008. "Can extrapolation to the basis set limit be an alternative to the counterpoise correction? A study on the helium dimer", Theoretical Chemistry Accounts 119, 5-6: 511 - 521.

68.	Varandas, A. J. C. 2008. "An ab initio study of the interaction between He and C(36) with extrapolation to the one electron basis set limit", Chemical Physics Letters 463, 1-3: 225 - 229.

69.	Varandas, A. J. C. 2008. "Generalized uniform singlet- and triplet-pair extrapolation of the correlation energy to the one electron basis set limit", Journal of Physical Chemistry A 112, 8: 1841 - 1850.

70.	Zhang, Lei; Luo, Pingya; Huang, Zhiyu; Chen, Hong; Varandas, A. J. C. 2008. "Vibrational relaxation of highly vibrationally excited O-3 in collisions with OH", Journal of Physical Chemistry A 112, 31: 7238 - 7243.

71.	Juanes-Marcos, Juan C; Varandas, A. J. C; Althorpe, Stuart C. 2008. "Geometric phase effects in resonance-mediated scattering: H+H[sub 2]+] on its lowest triplet electronic state", The Journal of Chemical Physics 128, 21: 211101 - 211101.

72.	Galva~o, B. R. L; Rodrigues, S. P. J; Varandas, A. J. C. 2008. "Energy-switching potential energy surface for the water molecule revisited: A highly accurate singled-sheeted form", The Journal of Chemical Physics 129, 4: 044302 - 044302.

73.	Varandas, A. J. C. 2008. "Extrapolation to the complete-basis-set limit and the implications of avoided crossings: The X¿[sup 1]S[sub g][sup +], B¿[sup 1]¿[sub g], and B[sup ']¿[sup 1]S[sub g][sup +] states of C[sub 2]", The Journal of Chemical Physics 129, 23: 234103 - 234103.

74.	Viegas, L. P; Varandas, A. J. C. 2008. "Geometric phase effect in the vibrational states of triplet H_{3}^{+}", Physical Review A 77, 3: 032505 - ..

75.	Ferreira, T. M; Alijah, A.; Varandas, A. J. C. 2008. "Hyperspherical nuclear motion of H[sub 3][sup +] and D[sub 3][sup +] in the electronic triplet state, a [sup 3]S[sub u][sup +]", The Journal of Chemical Physics 128, 5: 054301 - 054301.

76.	Alijah, A.; Varandas, A. J. C. 2008. "H[sub 4][sup +]: What do we know about it?", The Journal of Chemical Physics 129, 3: 034303 - 034303.

77.	Ballester, M. Y; Caridade, P. J. S. B; Varandas, A. J. C. 2007. "Dynamics and kinetics of the H+SO2 reaction: A theoretical study", Chemical Physics Letters 439, 4-6: 301 - 307.

78.	Ballester, M. Y; Varandas, A. J. C. 2007. "Theoretical study of the reaction OH+SO -> H+SO2", Chemical Physics Letters 433, 4-6: 279 - 285.

79.	Caridade, P. J. S. B; Poveda, L. A; Rodrigues, S. P. J; Varandas, A. J. C. 2007. "Recalibrated double many-body expansion potential energy surface and dynamics calculations for HN2", Journal of Physical Chemistry A 111, 7: 1172 - 1178.

80.	Chu, Tian S; Duan, Yun B; Yuan, Shu P; Varandas, A. J. C. 2007. "Accurate quantum wave packet study of the N(D-2)+D-2 reaction", Chemical Physics Letters 444, 4-6: 351 - 354.

81.	Ju, Li-Ping; Han, Ke-Li; Varandas, A. J. C. 2007. "Variational transition-state theory study of the atmospheric reaction OH+O-3 -> HO2+O-2", International Journal of Chemical Kinetics 39, 3: 148 - 153.

82.	Mota, Vinicius C; Varandas, A. J. C. 2007. "HN2((2)A(')) electronic manifold. I. A global ab initio study of first two states", Journal of Physical Chemistry A 111, 41: 10191 - 10195.

83.	Qi, Yan; Han, Ke-li; Varandas, A.J. C. 2007. "Direct dynamics simulation of reaction between F-2 and ethylene", Chinese Journal of Chemical Physics 20, 2: 109 - 112.

84.	Teixeira, O. B. M; Marques, J. M. C; Varandas, A. J. C. 2007. "Kinetics and dynamics of O + OC1O reaction in a modified many-body expansion potential energy surface for ClO3", International Journal of Chemical Kinetics 39, 7: 422 - 430.

85.	Varandas, A. J. C. 2007. "Accurate global ab initio potentials at low-cost by correlation scaling and extrapolation to the one-electron basis set limit", Chemical Physics Letters 443, 4-6: 398 - 407.

86.	Varandas, A. J. C. 2007. "Accurate ab initio-based molecular potentials: from extrapolation methods to global modelling", Physica Scripta 76, 3: C28 - C35.

87.	Varandas, A. J. C. 2007. "Trajectory binning scheme and non-active treatment of zero-point energy leakage in quasi-classical dynamics", Chemical Physics Letters 439, 4-6: 386 - 392.

88.	Viegas, L. P; Alijah, Alexander; Varandas, A. J. C. 2007. "Accurate ab initio based multisheeted double many-body expansion potential energy surface for the three lowest electronic singlet states of H[sub 3][sup +]", The Journal of Chemical Physics 126, 7: 074309 - 074309.

89.	Varandas, A. J. C. 2007. "Extrapolating to the one-electron basis-set limit in electronic structure calculations", The Journal of Chemical Physics 126, 24: 244105 - 244105.

90.	Varandas, A. J. C. 2007. "Accurate ab initio potentials at low cost via correlation scaling and extrapolation: Application to CO(A [sup 1]¿)", The Journal of Chemical Physics 127, 11: 114316 - 114316.

91.	Batista, V. M. O; Rodrigues, S. P. J; Varandas, A. J. C. 2007. "Ground and excited state potentials of CO revisited", Asian J. Spectrosc., 11: 133 - 142.

92.	Alijah, A.; Varandas, A. J. C. 2006. "Ro-vibrational states of triplet H2D", Journal of Physical Chemistry A 110, 16: 5499 - 5503.

93.	Alijah, Alexander; Varandas, A. J. C. 2006. "H-3(+) in the electronic triplet state: current status", Philosophical Transactions of the Royal Society a-Mathematical Physical and Engineering Sciences 364, 1848: 2889 - 2901.

94.	Biczysko, M.; Poveda, L. A; Varandas, A. J. C. 2006. "Accurate MRCI study of ground-state N(2)H(2) potential energy surface", Chemical Physics Letters 424, 1-3: 46 - 53.

95.	Chen, X. F; Zhang, X.; Han, K. L; Varandas, A. J. C. 2006. "Ab initio study of the H+ClONO2 reaction", Chemical Physics Letters 421, 4-6: 453 - 459.

96.	Chu, T. S; Han, K. L; Varandas, A. J. C. 2006. "A quantum wave packet dynamics study of the N(D-2)+H-2 reaction", Journal of Physical Chemistry A 110, 4: 1666 - 1671.

97.	Hellman, A.; Baerends, E. J; Biczysko, M.; Bligaard, T.; Christensen, C. H; Clary, D. C; Dahl, S.; van Harrevelt, R; Honkala, K.; Jonsson, H.; Kroes, G. J; Luppi, M.; Manthe, U.; Norskov, J. K; Olsen, R. A; Rossmeisl, J.; Skulason, E.; Tautermann, C. S; Varandas, A. J. C; Vincent, J. K. 2006. "Predicting catalysis: Understanding ammonia synthesis from first-principles calculations", Journal of Physical Chemistry B 110, 36: 17719 - 17735.

98.	Varandas, A. J. C; Chu, T. S; Han, K. L; Caridade, Pjsb. 2006. "Accurate rate constant and quantum effects for N(D-2)+H-2 reaction", Chemical Physics Letters 421, 4-6: 415 - 420.

99.	Varandas, A. J. C; Poveda, L. A. 2006. "Accurate DMBE potential energy surface for the N(D-2)+H-2((1)Sigma(+)(g)) reaction using an improved switching function formalism", Theoretical Chemistry Accounts 116, 4-5: 404 - 419.

100.	Varandas, A. J. C; Piecuch, P.. 2006. "Extrapolating potential energy surfaces by scaling electron correlation at a single geometry", Chemical Physics Letters 430, 4-6: 448 - 453.

101.	Varandas, A. J. C; Rodrigues, S. P. J; Batista, V. M. O. 2006. "Direct fit of extended Hartree-Fock approximate correlation energy model to spectroscopic data", Chemical Physics Letters 424, 4-6: 425 - 431.

102.	Varandas, A. J. C; Rodrigues, S. P. J. 2006. "New double many-body expansion potential energy surface for ground-state HCN from a multiproperty fit to accurate ab initio energies and rovibrational calculations", Journal of Physical Chemistry A 110, 2: 485 - 493.

103.	Zhang, Lei; Luo, Pingya; Huang, Zhiyu; Varandas, A. J. C. 2006. "Dynamics study of the OH+O-3 atmospheric reaction with both reactants vibrationally excited", Journal of Physical Chemistry A 110, 51: 13836 - 13842.

104.	Lu, Rui-Feng; Chu, Tian-Shu; Zhang, Yan; Han, Ke-Li; Varandas, A. J. C; Zhang, John Z. H. 2006. "Nonadiabatic effects in the H+D[sub 2] reaction", The Journal of Chemical Physics 125, 13: 133108 - 133108.

105.	Varandas, A. J. C; Caridade, P. J. S. B; Zhang, J. Z. H; Cui, Q.; Han, K. L. 2006. "Dynamics of X+CH[sub 4] (X=H,O,Cl) reactions: How reliable is transition state theory for fine-tuning potential energy surfaces?", The Journal of Chemical Physics 125, 6: 064312 - 064312.

106.	Ballester, M. Y; Varandas, A. J. C. 2005. "Double many-body expansion potential energy surface for ground state HSO2", Physical Chemistry Chemical Physics 7, 11: 2305 - 2317.

107.	Caridade, Pjsb; Rodrigues, S. P. J; Sousa, F.; Varandas, A. J. C. 2005. "Unimolecular and bimolecular calculations for HN2", Journal of Physical Chemistry A 109, 10: 2356 - 2363.

108.	Poveda, L. A; Varandas, A. J. C. 2005. "Repulsive double many-body expansion potential energy surface for the reactions N(S-4)+H-2 reversible arrow NH(X-3 Sigma(-))+H from accurate ab initio calculations", Physical Chemistry Chemical Physics 7, 15: 2867 - 2873.

109.	Varandas, A. J. C. 2005. "Reply to the comment on "Are vibrationally excited molecules a clue for the O-3 deficit problem and HOx dilemma in the middle atmosphere?"", Journal of Physical Chemistry A 109, 11: 2700 - 2702.

110.	Varandas, A. J. C. 2005. "What are the implications of nonequilibrium in the O+OH and O+HO2 reactions?", Chemphyschem 6, 3: 453 - 465.

111.	Varandas, A. J. C; Alijah, A.; Cernei, M.. 2005. "A novel accurate representation of a double-valued potential energy surface by the DMBE method. Application to triplet H-3(+)(a(3) E ')", Chemical Physics 308, 3: 285 - 295.

112.	Varandas, A. J. C; Zhang, L.. 2005. "Vibrational relaxation of highly excited HO2 in collisions with O-2", Chemical Physics Letters 402, 4-6: 399 - 407.

113.	Viegas, L. P; Alijah, A.; Varandas, A. J. C. 2005. "Symmetry analysis of the vibronic states in the upper conical potential (2(3)A') of triplet H-3(+)", Journal of Physical Chemistry A 109, 15: 3307 - 3310.

114.	Varandas, A. J. C; Alijah, Alexander; Cernei, Mihail. 2005. "A novel accurate representation of a double-valued potential energy surface by the DMBE method. Application to triplet H3+()", Chemical Physics 308, 3: 285 - 295.

115.	Biczysko, M.; Poveda, L. A; Varandas, A. J. C. 2005. "Single-sheeted double many-body expansion potential energy surface for N2H2 ((1)A) from accurate MRCI calculations", Abstracts of Papers of the American Chemical Society 230, .: U2901 - U2901.

116.	Caridade, Pjbs; Varandas, A. J. C. 2004. "Dynamics study of the N(S-4)+O-2 reaction and its reverse", Journal of Physical Chemistry A 108, 16: 3556 - 3564.

117.	Silveira, D. M; Caridade, Pjsb; Varandas, A. J. C. 2004. "Dynamics study of the O+HO(2) reaction using two DMBE potential energy surfaces: The role of vibrational excitation", Journal of Physical Chemistry A 108, 41: 8721 - 8730.

118.	Teitelbaum, H.; Caridade, Pjsb; Varandas, A. J. C. 2004. "Calculation of the rate constant for state-selected recombination of H+O-2(v) as a function of temperature and pressure", Journal of Chemical Physics 120, 22: 10483 - 10500.

119.	Teixeira, O. B. M; Marques, J. M. C; Varandas, A. J. C. 2004. "Dynamics study of CIO+O-2 collisions and their role in the chemistry of stratospheric ozone", Physical Chemistry Chemical Physics 6, 9: 2179 - 2184.

120.	Varandas, A. J. C. 2004. "Are vibrationally excited molecules a clue for the "O-3 deficit problem" and "HOx dilemma" in the middle atmosphere?", Journal of Physical Chemistry A 108, 5: 758 - 769.

121.	Varandas, A. J. C. 2004. "Reactive and non-reactive vibrational quenching in O+OH collisions", Chemical Physics Letters 396, 1-3: 182 - 190.

122.	Varandas, A. J. C; Zhang, L.. 2004. "Dynamics of HO2+O-3 reaction using a test DMBE potential energy surface: does it occur via oxygen or hydrogen atom abstraction?", Chemical Physics Letters 385, 5-6: 409 - 416.

123.	Viegas, L. P; Cernei, M.; Alijah, A.; Varandas, A. J. C. 2004. "Accurate double many-body expansion potential energy surface for triplet H-3(+). II. The upper adiabatic sheet (2 (3)A ')", Journal of Chemical Physics 120, 1: 253 - 259.

124.	Varandas, A. J. C; Xu, Z. R. 2004. "Geometric phase effect at N-fold electronic degeneracies in Jahn-Teller systems", International Journal of Quantum Chemistry 99, 4: 385 - 392.

125.	Alijah, A.; Varandas, A. J. C. 2004. "Symmetry Properties of Rovibronic States of an X3 Molecule in an Upright Conical Potential", Physical Review Letters 93, 24: 243003 - ..

126.	Naduvalath, B.; Sultanov, R.; Varandas, A. J. C. 2004. "Application of mixed-quantum classical methods to non-equilibrium chemistry in the middle and upper atmosphere", Abstracts of Papers of the American Chemical Society 227, .: U340 - U340.

127.	Alijah, A.; Viegas, L. P; Cernei, M.; Varandas, A. J. C. 2003. "Ro-vibrational states of triplet H-3(+) (alpha(3)Sigma(+)(u)): The lowest 19 bands", Journal of Molecular Spectroscopy 221, 2: 163 - 173.

128.	Caridade, Pjsb; Llanio-Trujillo, J. L; Varandas, A. J. C. 2003. "Nascent versus "steady-state" rovibrational distributions in the products of the O(P-3)+O-3((X)over tilde(1)A) reaction", Journal of Physical Chemistry A 107, 50: 10926 - 10932.

129.	Cernei, M.; Alijah, A.; Varandas, A. J. C. 2003. "Accurate double many-body expansion potential energy surface for triplet H-3(+). I. The lowest adiabatic sheet (a(3)Sigma(+)(u))", Journal of Chemical Physics 118, 6: 2637 - 2646.

130.	Marques, J. M. C; Riganelli, A.; Varandas, A. J. C. 2003. "Classical trajectory method: A+BC coplanar collisions", Quimica Nova 26, 5: 769 - 778.

131.	Poveda, L. A; Varandas, A. J. C. 2003. "Accurate single-valued double many-body expansion potential energy surface for ground-state HN2", Journal of Physical Chemistry A 107, 39: 7923 - 7930.

132.	Rodrigues, S. P. J; Varandas, A. J. C. 2003. "Dynamics study of the reaction S+O-2 -> SO+O and its reverse on a single-valued double many-body expansion potential energy surface for ground-state SO2", Journal of Physical Chemistry A 107, 28: 5369 - 5374.

133.	Varandas, A. J. C. 2003. "Steady-state distributions of O-2 and OH in the high atmosphere and implications in the ozone chemistry", Journal of Physical Chemistry A 107, 19: 3769 - 3777.

134.	Varandas, A. J. C. 2003. "A realistic multi-sheeted potential energy surface for NO2((2)A ') from the double many-body expansion method and a novel multiple energy-switching scheme", Journal of Chemical Physics 119, 5: 2596 - 2613.

135.	Varandas, A. J. C; Viegas, L. P. 2003. "Cone states of tri-hydrogen isotopomers and criterion for the geometric phase effect", Chemical Physics Letters 367, 5-6: 625 - 632.

136.	Borges, I.; Varandas, A.J.C.; Rocha, A.B.; Bielschowsky, C.E.. 2003. "Forbidden transitions in benzene", Journal of Molecular Structure: THEOCHEM 621, 1-2: 99 - 105.

137.	Marques, Jorge M. C; Riganelli, Antonio; Varandas, A. J. C. 2003. "O método das trajectórias clássicas: colisões coplanares do tipo A+BC", Química Nova 26, 5: 769 - 778.

138.	Ansari, W. U. H; Varandas, A. J. C. 2002. "Six-dimensional energy-switching potential energy surface for HeHCN", Journal of Physical Chemistry A 106, 40: 9338 - 9344.

139.	Caridade, Pjsb; Sabin, J.; Garrido, J. D; Varandas, A. J. C. 2002. "Dynamics of OH plus O-2 vibrational relaxation processes", Physical Chemistry Chemical Physics 4, 20: 4959 - 4969.

140.	Fernandez-Ramos, A.; Varandas, A. J. C. 2002. "A VTST study of the H+O-3 and O+HO2 reactions using a six-dimensional DMBE potential energy surface for ground state HO3", Journal of Physical Chemistry A 106, 16: 4077 - 4083.

141.	Garrido, J. D; Caridade, Pjsb; Varandas, A. J. C. 2002. "Dynamics study of the OH+O-2 branching atmospheric reaction. 4. Influence of vibrational relaxation in collisions involving highly excited species", Journal of Physical Chemistry A 106, 21: 5314 - 5322.

142.	Kryachko, E. S; Varandas, A. J. C. 2002. "Existence of strictly diabatic basis sets for the two-state problem", International Journal of Quantum Chemistry 89, 4: 255 - 259.

143.	Martinez-Nunez, E.; Vazquez, S. A; Varandas, A. J. C. 2002. "Unimolecular reaction dynamics of HSO. Analysis of the influence of different barrier samplings on the product energy distributions", Physical Chemistry Chemical Physics 4, 2: 279 - 287.

144.	Marques, J. M. C; Voronin, A. I; Varandas, A. J. C. 2002. "Li+Li-2 dissociation reaction using the self-consistent potential and trajectory surface hopping methods", Journal of Physical Chemistry A 106, 15: 3673 - 3680.

145.	Prudente, F. V; Varandas, A. J. C. 2002. "A direct evaluation of the partition function and thermodynamic data for water at high temperatures", Journal of Physical Chemistry A 106, 25: 6193 - 6200.

146.	Rodrigues, S. P. J; Sabin, J. A; Varandas, A. J. C. 2002. "Single-valued double many-body expansion potential energy surface of ground-state SO2", Journal of Physical Chemistry A 106, 3: 556 - 562.

147.	Varandas, A. J. C. 2002. "HOx catalytic cycles for ozone depletion hiding?", Chemphyschem 3, 5: 433 - +.

148.	Varandas, A. J. C; Llanio-Trujillo, J. L. 2002. "On triplet tetraoxygen: ab initio study along minimum energy path and global modelling", Chemical Physics Letters 356, 5-6: 585 - 594.

149.	Varandas, A. J. C; Rodrigues, S. P. J. 2002. "A realistic double many-body expansion potential energy surface for SO2((X)over-tilde(1) A ') from a multiproperty fit to accurate ab initio energies and vibrational levels", Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 58, 4: 629 - 647.

150.	Zhang, L.; Varandas, A. J. C. 2002. "Dynamics study of the O-2+HO2 atmospheric reaction with both reactants highly vibrationally excited", Journal of Physical Chemistry A 106, 49: 11911 - 11916.

151.	Varandas, A. J. C; Llanio-Trujillo, J. L. 2002. " DYNAMICS OF O + O 3 REACTION ON A NEW POTENTIAL ENERGY SURFACE FOR GROUND-TRIPLET TETRAOXYGEN: SPECTATOR BOND MECHANISM REVISITED ", Journal of Theoretical and Computational Chemistry 01, 01: 31 - 43.

152.	Borges, I.; Caridade, Pjsb; Varandas, A. J. C. 2001. "Potential energy curves for X (1)Sigma+ and A (1)Pi states of CO: The A (1)Pi (v '=1-23) <- X (1)Sigma+ (v ''=0, 1) transitions", Journal of Molecular Spectroscopy 209, 1: 24 - 29.

153.	Caridade, Pjsb; Betancourt, M.; Garrido, J. D; Varandas, A. J. C. 2001. "Dynamics study of the OH+O-2 branching atmospheric reaction. 3. Dissociation in collisions of vibrationally excited reactants", Journal of Physical Chemistry A 105, 31: 7435 - 7440.

154.	Caridade, Pjsb; Zhang, L.; Garrido, J. D; Varandas, A. J. C. 2001. "Dynamics study of the OH+O-2 branching atmospheric reaction. 2. Influence of reactants internal energy in HO2 and O-3 formation", Journal of Physical Chemistry A 105, 18: 4395 - 4402.

155.	Friedrich, O.; Alijah, A.; Xu, Z. R; Varandas, A. J. C. 2001. "Bound ro-vibronic states of triplet H-3+", Physical Review Letters 86, 7: 1183 - 1186.

156.	Marques, J. M. C; Varandas, A. J. C. 2001. "On the high pressure rate constants for the H/Mu+O-2 addition reactions", Physical Chemistry Chemical Physics 3, 4: 505 - 507.

157.	Martinez-Nunez, E.; Varandas, A. J. C. 2001. "Single-valued DMBE potential energy surface for HSO: A distributed n-body polynomial approach", Journal of Physical Chemistry A 105, 24: 5923 - 5932.

158.	Marques, J. M. C; Varandas, A. J. C. 2001. "Reply to the 'Comment on "On the high pressure rate constants for the H/Mu+O-2 addition reactions''' by L. B. Harding, J. Troe and V. G. Ushakov, Phys. Chem. Chem. Phys., 2001, 3, 2630", Physical Chemistry Chemical Physics 3, 13: 2632 - 2633.

159.	Prudente, F. V; Riganelli, A.; Varandas, A. J. C. 2001. "Calculation of the rovibrational partition function using classical methods with quantum corrections", Journal of Physical Chemistry A 105, 21: 5272 - 5279.

160.	Riganelli, A.; Prudente, F. V; Varandas, A. J. C. 2001. "On the rovibrational partition function of molecular hydrogen at high temperatures", Journal of Physical Chemistry A 105, 41: 9518 - 9521.

161.	Prudente, F. V; Riganelli, A.; Varandas, A. J. C. 2001. "The discrete variable representation method for bound state eigenvalues and eigenfunctions", Revista Mexicana De Fisica 47, 6: 568 - 575.

162.	Urbano, A. P. A; Prudente, F. V; Riganelli, A.; Varandas, A. J. C. 2001. "Vibrational partition functions for atom-diatom and atom-triatom van der Waals systems", Physical Chemistry Chemical Physics 3, 22: 5000 - 5005.

163.	Varandas, A. J. C; Caridade, Pjsb. 2001. "The OH(nu ')+O-2(upsilon '') reaction: a new source of stratospheric ozone?", Chemical Physics Letters 339, 1-2: 1 - 8.

164.	Varandas, A. J. C; Zhang, L.. 2001. "OH(nu)+O-3: Does chemical reaction dominate over nonreactive quenching?", Chemical Physics Letters 340, 1-2: 62 - 70.

165.	Xu, Z. R; Varandas, A. J. C. 2001. "Nuclear dynamics in the vicinity of a crossing seam: Vibrational spectrum of HD2 revisited", International Journal of Quantum Chemistry 83, 5: 279 - 285.

166.	Xu, Z. R; Varandas, A. J. C. 2001. "Vibrational calculations for the HD2 first-excited electronic state using a coordinate-transformation technique", Journal of Physical Chemistry A 105, 11: 2246 - 2250.

167.	Yu, H. G; Varandas, A. J. C. 2001. "Ab initio theoretical calculation and potential energy surface for ground-state HO3", Chemical Physics Letters 334, 1-3: 173 - 178.

168.	Zhang, L.; Varandas, A. J. C. 2001. "Dynamics of the OH(v=1,2,4)+O-3 atmospheric reaction", Physical Chemistry Chemical Physics 3, 8: 1439 - 1445.

169.	Zhang, L.; Varandas, A. J. C. 2001. "Dynamics study of the O-2(v)+HO2 atmospheric reaction", Journal of Physical Chemistry A 105, 45: 10347 - 10355.

170.	Boggio-Pasqua, M.; Voronin, A. I; Halvick, P.; Rayez, J. C; Varandas, A. J. C. 2000. "Coupled ab initio potential energy surfaces for the two lowest (2)A ' electronic states of the C2H molecule", Molecular Physics 98, 23: 1925 - 1938.

171.	Marques, J. M. C; Llanio-Trujillo, J. L; Varandas, A. J. C. 2000. "Isotope effect on unimolecular dissociation of MuO(2): a classical trajectory study", Physical Chemistry Chemical Physics 2, 16: 3583 - 3589.

172.	Pena-Gallego, A.; Abreu, P. E; Varandas, A. J. C. 2000. "MRCI calculation, scaling of the external correlation, and modeling of potential energy curves for HCl and OCl", Journal of Physical Chemistry A 104, 26: 6241 - 6246.

173.	Riganelli, A.; Prudente, F. V; Varandas, A. J. C. 2000. "Evaluation of vibrational partition functions for polyatomic systems: quantum versus classical methods for H2O and Ar center dot center dot center dot CN", Physical Chemistry Chemical Physics 2, 18: 4121 - 4129.

174.	Rodrigues, S. P. J; Varandas, A. J. C. 2000. "On the variation of the electric quadrupole moment with internuclear distance and the atom-diatom long-range electrostatic interaction energy", Physical Chemistry Chemical Physics 2, 4: 435 - 439.

175.	Varandas, A. J. C. 2000. "Four-atom bimolecular reactions with relevance in environmental chemistry: theoretical work", International Reviews in Physical Chemistry 19, 2: 199 - 245.

176.	Varandas, A. J. C. 2000. "Basis-set extrapolation of the correlation energy", Journal of Chemical Physics 113, 20: 8880 - 8887.

177.	Varandas, A. J. C; Voronin, A. I; Caridade, Pjsb; Riganelli, A.. 2000. "Is there a barrier for the C-2v insertion reaction in O(D-1)+H-2? A test dynamics study based on two-valued energy-switching potential energy surfaces", Chemical Physics Letters 331, 2-4: 331 - 338.

178.	Varandas, A. J. C; Voronin, A. I; Borges, I.. 2000. "On the interaction of two conical intersections: the H-6 system", Chemical Physics Letters 331, 2-4: 285 - 289.

179.	Varandas, A. J. C; Zhang, L.. 2000. "Test studies on the potential energy surface and rate constant for the OH+O-3 atmospheric reaction", Chemical Physics Letters 331, 5-6: 474 - 482.

180.	Xu, Z. R; Baer, M.; Varandas, A. J. C. 2000. "On phase factors and geometric phases in isotopes of H-3: A line integral study", Journal of Chemical Physics 112, 6: 2746 - 2751.

181.	Varandas, A. J. C; Xu, Z. R. 2000. "Singularities in the Hamiltonian at electronic degeneracies", Chemical Physics 259, 2-3: 173 - 179.

182.	Varandas, A. J. C; Xu, Z. R. 2000. "Nuclear dynamics in the vicinity of the crossing seam: Theory and application to vibrational spectrum of H-3", Journal of Chemical Physics 112, 5: 2121 - 2127.

183.	Varandas, A. J. C; Xu, Z. R. 2000. "On the behavior of single-surface nuclear wavefunctions in the vicinity of the conical intersection for an X-3 system", Chemical Physics Letters 316, 3-4: 248 - 256.

184.	Xu, Z. R; Varandas, A. J. C. 2000. "Geometric phase effect in isotopomers of X-3 systems: Use of a split basis technique for the cone states of HD2", International Journal of Quantum Chemistry 80, 3: 454 - 460.

185.	Abreu, P. E; Varandas, A. J. C. 2000. "First principles calculation of the potential energy surface for the lowest-quartet state of H3 and modelling by the double many-body expansion method", Physical Chemistry Chemical Physics 2, 11: 2471 - 2480.

186.	Varandas, A. J. C. 2000. "Four-atom bimolecular reactions with relevance in environmental chemistry: Theoretical work", International Reviews in Physical Chemistry 19, 2: 199 - 245.

187.	Baer, M.; Englman, R.; Varandas, A. J. C. 1999. "Adiabatic-diabatic transformations for molecular systems: a model study of two interacting conical intersections", Molecular Physics 97, 11: 1185 - 1191.

188.	Baer, M.; Varandas, A. J. C; Englman, R.. 1999. "Topological effects due to conical intersections: A model study of two interacting conical intersections", Journal of Chemical Physics 111, 21: 9493 - 9497.

189.	Garrido, J. D; Caridade, Pjsb; Varandas, A. J. C. 1999. "Dynamics study of the HO(v '=0)+O-2(v '') branching atmospheric reaction. 1. Formation of hydroperoxyl radical", Journal of Physical Chemistry A 103, 25: 4815 - 4822.

190.	Llanio-Trujillo, J. L; Marques, J. M. C; Varandas, A. J. C. 1999. "Mode specificity study in unimolecular dissociation of nonrotating H2O, DHO, and MuHO molecules", Journal of Physical Chemistry A 103, 50: 10907 - 10914.

191.	Marques, J. M. C; Voronin, A. I; Varandas, A. J. C. 1999. "Comparative trajectory surface hopping study for the Li+Li-2(X (1)Sigma(g) (+)), Na+Li-2(X (1)Sigma(g) (+)) and Li+Na-2(X (1)Sigma(g) (+)) dissociation reactions", Physical Chemistry Chemical Physics 1, 11: 2657 - 2665.

192.	Mil'nikov, G. V; Varandas, A. J. C. 1999. "Classical canonical transformation theory as a tool to describe multidimensional tunnelling in reactive scattering. Hopping method revisited and collinear H+H-2 exchange reaction near the classical threshold", Physical Chemistry Chemical Physics 1, 6: 1071 - 1079.

193.	Mil'nikov, G. V; Varandas, A. J. C. 1999. "Semiclassical theory of multidimensional tunneling and the hopping method", Journal of Chemical Physics 111, 18: 8302 - 8312.

194.	Riganelli, A.; Wang, W.; Varandas, A. J. C. 1999. "Monte Carlo simulation approach to internal partition functions for van der Waals molecules", Journal of Physical Chemistry A 103, 41: 8303 - 8308.

195.	Szichman, H.; Varandas, A. J. C. 1999. "Approximate quantum mechanical cross sections and rate constants for the H+O-3 atmospheric reaction using novel elastic optimum angle adiabatic approaches", Journal of Physical Chemistry A 103, 13: 1967 - 1971.

196.	Rodrigues, S. P. J; Varandas, A. J. C. 1999. "On the rate constant for the association reaction H+CN+Ar -> HCN+Ar", Journal of Physical Chemistry A 103, 32: 6366 - 6372.

197.	Varandas, A. J. C. 1999. "A simple model for vibrational stretching in diatomics at fullerenes", Asian Journal of Spectroscopy 3, 2: 79 - 90.

198.	Varandas, A. J. C; Xu, Z. R. 1999. "Vibrational spectrum of Li-3 first-excited electronic doublet state: Geometric-phase effects and statistical analysis", International Journal of Quantum Chemistry 75, 2: 89 - 109.

199.	Varandas, A. J. C; Yu, H. G; Xu, Z. R. 1999. "Vibrational spectrum of ground state Li-3 and statistical analysis of the energy levels", Molecular Physics 96, 8: 1193 - 1206.

200.	Varandas, A.J.C.; Yu, H.G.. 1999. "Dimensionality effects on transition state resonances for and reactive collisions", Journal of Molecular Structure: THEOCHEM 493, 1-3: 81 - 88.

201.	Jimeno, P.; Voronin, A. I; Varandas, A. J. C. 1998. "Ab initio MRCI calculation and modeling of the A(1)Pi potential energy curve of CO", Journal of Molecular Spectroscopy 192, 1: 86 - 90.

202.	Szichman, H.; Baer, M.; Varandas, A. J. C. 1998. "Quantum dynamical rate constant for the H+O-3 reaction using a six-dimensional double many-body expansion potential energy surface revisited", Journal of Physical Chemistry A 102, 45: 8909 - 8912.

203.	Rodrigues, S. P. J; Varandas, A. J. C. 1998. "Dynamics study of the reaction Ar+HCN -> Ar+H+CN", Journal of Physical Chemistry A 102, 31: 6266 - 6273.

204.	Varandas, A. J. C; Abreu, P. E. 1998. "Quasi-ab initio dynamics: a test trajectory study of the H+H-2 reaction using energies and gradients based on scaling of the external correlation", Chemical Physics Letters 293, 3-4: 261 - 269.

205.	Varandas, A. J. C; Voronin, A. I; Caridade, Pjsb. 1998. "Energy switching approach to potential surfaces. III. Three-valued function for the water molecule", Journal of Chemical Physics 108, 18: 7623 - 7630.

206.	Varandas, A. J. C; Szichman, H.. 1998. "A three-dimensional quantum mechanical study of the O+HO2 atmospheric reaction: infinite-order sudden approximation and novel adiabatic approaches vs. quasiclassical trajectories", Chemical Physics Letters 295, 1-2: 113 - 121.

207.	Varandas, A. J. C; Rodrigues, S. P. J; Gomes, P. A. J. 1998. "Energy switching potential energy surfaces and spectra of the van der Waals modes for the ArHCN molecule", Chemical Physics Letters 297, 5-6: 458 - 466.

208.	Wang, W.; Varandas, A. J. C. 1998. "On the O-2(v ')+O-2(v '') atmospheric reaction. II. The role of rotational excitation", Chemical Physics 236, 1-3: 181 - 188.

209.	Wang, W.; Gonzalez-Jonte, R.; Varandas, A. J. C. 1998. "Quasiclassical trajectory study of the environmental reaction O+HO2 -> OH+O-2", Journal of Physical Chemistry A 102, 35: 6935 - 6941.

210.	Voronin, A. I; Marques, J. M. C; Varandas, A. J. C. 1998. "Trajectory surface hopping study of the Li+Li-2(X-1 Sigma(+)(g)) dissociation reaction", Journal of Physical Chemistry A 102, 30: 6057 - 6062.

211.	Jimeno, P.; Rayez, J. C; Abreu, P. E; Varandas, A. J. C. 1997. "Toward a single-valued DMBE potential energy surface for CHNO((3)A) .1. Diatomic fragments", Journal of Physical Chemistry A 101, 26: 4828 - 4834.

212.	Marques, J. M. C; Varandas, A. J. C. 1997. "Classical trajectory study of mode specificity and rotational effects in unimolecular dissociation of HO2", Journal of Physical Chemistry A 101, 28: 5168 - 5173.

213.	Szichman, H.; Baer, M.; Varandas, A. J. C. 1997. "Quantum dynamical rate constant for the H+O-3 reaction using a six-dimensional double many-body expansion potential energy surface", Journal of Physical Chemistry A 101, 47: 8817 - 8821.

214.	Varandas, A. J. C. 1997. "Energy switching approach to potential surfaces: An accurate single-valued function for the water molecule (vol 105, pg 3524, 1996)", Journal of Chemical Physics 107, 15: 5987 - 5987.

215.	Varandas, A. J. C. 1997. "Energy switching approach to potential surfaces .2. Two-valued function for the water molecule", Journal of Chemical Physics 107, 3: 867 - 878.

216.	Varandas, A. J. C; Rodrigues, S. P. J. 1997. "Double many-body expansion potential energy surface for ground-state HCN based on realistic long range forces and accurate ab initio calculations", Journal of Chemical Physics 106, 23: 9647 - 9658.

217.	Varandas, A. J. C; Wang, W.. 1997. "On the O-2 (upsilon')+O-2 (upsilon'') atmospheric reaction: A quasiclassical trajectory study", Chemical Physics 215, 2: 167 - 182.

218.	Varandas, A. J. C; Voronin, A. I; Jimeno, P.. 1997. "Conical intersections between the two lowest (1)A' potential energy surfaces of HCN, and the role of three-body effects", Journal of Chemical Physics 107, 23: 10014 - 10028.

219.	Varandas, A. J. C; Voronin, A. I; Riganelli, A.; Caridade, Pjsb. 1997. "Cross sections and rate constants for the O(D-1)+H-2 reaction using a single-valued energy-switching potential energy surface", Chemical Physics Letters 278, 4-6: 325 - 332.

220.	Varandas, A. J. C; Yu, H. G. 1997. "Double many-body expansion potential energy surface for ground-state HO3", Molecular Physics 91, 2: 301 - 318.

221.	Varandas, A. J. C; Yu, H. G. 1997. "Geometric phase effects on transition-state resonances and bound vibrational states of H-3 via a time-dependent wavepacket method", Journal of the Chemical Society-Faraday Transactions 93, 5: 819 - 824.

222.	Varandas, A. J. C; Yu, H. G. 1997. "Geometric phase effects on transition-state resonances and bound vibrational states of H-3 via a time-dependent wavepacket method (vol 93, pg 819, 1997)", Journal of the Chemical Society-Faraday Transactions 93, 19: 3599 - 3599.

223.	Yu, H. G; Varandas, A. J. C. 1997. "Dynamics of H(D)+O-3 reactions on a double many-body expansion potential-energy surface for ground state HO3", Journal of the Chemical Society-Faraday Transactions 93, 16: 2651 - 2656.

224.	Varandas, A. J. C; Voronin, A. I. 1997. "On the potential energy curve of CO", Asian J. Spectrosc., 1: 135 - 140.

225.	Marques, J. M. C; Wang, W.; Pais, Aacc; Varandas, A. J. C. 1996. "Dynamics study of the H+ArO2 multichannel reaction", Journal of Physical Chemistry 100, 44: 17513 - 17522.

226.	Pais, Aacc; Voronin, A. I; Varandas, A. J. C. 1996. "Dynamics of the Li+Li-2 reaction: Coexistence of statistical and direct attributes", Journal of Physical Chemistry 100, 18: 7480 - 7487.

227.	Varandas, A. J. C. 1996. "Energy switching approach to potential surfaces: An accurate single-valued function for the water molecule", Journal of Chemical Physics 105, 9: 3524 - 3531.

228.	Varandas, A. J. C; Pais, Aacc; Marques, J. M. C; Wang, W.. 1996. "On the chaperon mechanism for association rate constants: The formation of HO2 and O-3", Chemical Physics Letters 249, 3-4: 264 - 271.

229.	Varandas, A. J. C; Milnikov, G. V. 1996. "Incorporation of tunneling effects in classical trajectories via a method of canonical transformations", Chemical Physics Letters 259, 5-6: 605 - 610.

230.	Varandas, A. J. C; Yu, H. G. 1996. "Theoretical 3D study of transition state resonances for the H+H-2 reaction using two coupled diabatic potential energy surfaces", Chemical Physics Letters 259, 3-4: 336 - 341.

231.	Varandas, A. J. C; Yu, H. G. 1996. "Spectral quantization of transition state resonances in collinear Mu+H-2 and Mn+D-2 collisions", Chemical Physics 209, 1: 31 - 40.

232.	Yu, H. G; Varandas, A. J. C. 1996. "Three-dimensional time-dependent wavepacket calculation of the transition state resonances for MuH(2) and MuD(2): Resonance energies and widths", Journal of Physical Chemistry 100, 35: 14598 - 14601.

233.	Hase, W.L.; Duchovic, R.J.; Hu, X.; Kormonicki, A.; Lim, K.F.; Lu, D.-h; Peslherbe, G.H.; Swamy, K.N.; Vande Linde, S; Varandas, A. J. C; Wang, H.; Wolf, R. 1996. "VENUS96: A general chemical dynamics computer program", Quantum Chemistry Program Exchange Bull., 16: 43 - ..

234.	Morais, V. M. F; Varandas, A. J. C. 1995. "QUASI-CLASSICAL TRAJECTORY STUDY OF THE LI+CS-2 REACTION", Molecular Physics 84, 5: 957 - 969.

235.	Szichman, H.; Varandas, A. J. C; Baer, M.. 1995. "3-DIMENSIONAL QUANTUM-MECHANICAL RATE CONSTANTS FOR THE REACTION O+O-3- 2O(2), EMPLOYING A 6-DIMENSIONAL POTENTIAL-ENERGY SURFACE", Journal of Chemical Physics 102, 8: 3474 - 3476.

236.	Varandas, A. J. C. 1995. "J=O REACTIVITY AND CROSS-SECTION IN THE H+O-2 REACTION - IS THERE A PRONOUNCED MAXIMUM AS A FUNCTION OF ENERGY", Chemical Physics Letters 235, 1-2: 111 - 118.

237.	Varandas, A. J. C. 1995. "EXTRAPOLATION METHOD FOR CROSS-SECTION FROM QUANTUM-MECHANICAL J=0 REACTIVITY - H+O-2", Molecular Physics 85, 6: 1159 - 1164.

238.	Varandas, A. J. C; Bowman, J. M; Gazdy, B.. 1995. "ADJUSTED DOUBLE MANY-BODY EXPANSION POTENTIAL-ENERGY SURFACE FOR HO2 BASED ON RIGOROUS VIBRATIONAL CALCULATIONS", Chemical Physics Letters 233, 4: 405 - 410.

239.	Varandas, A. J. C; Rodrigues, S. P. J. 1995. "INTERNUCLEAR DEPENDENCE OF STATIC DIPOLE POLARIZABILITY IN DIATOMIC-MOLECULES", Chemical Physics Letters 245, 1: 66 - 74.

240.	Varandas, A. J. C; Voronin, A. I. 1995. "TOWARDS A DOUBLE MANY-BODY EXPANSION METHOD FOR MULTIVALUED POTENTIAL-ENERGY SURFACES - THE H-3, FH2 AND NO2 SYSTEMS", Molecular Physics 85, 3: 497 - 526.

241.	Varandas, A. J. C; Voronin, A. I. 1995. "CALCULATION OF THE ASYMPTOTIC INTERACTION AND MODELING OF THE POTENTIAL-ENERGY CURVES OF OH AND OH+", Chemical Physics 194, 1: 91 - 100.

242.	Varandas, A. J. C; Voronin, A. I. 1995. "POTENTIAL-ENERGY SURFACES FOR THE LOW-LYING (2)A STATES OF HO2 VIA A MULTIVALUED DOUBLE MANY-BODY EXPANSION - MODELING BASIC ATTRIBUTES", Journal of Physical Chemistry 99, 43: 15846 - 15857.

243.	Marques, J. M. C; Wang, W. L; Varandas, A. J. C. 1994. "DYNAMICS CALCULATIONS AND ISOTOPIC EFFECT IN O+OH(D)- O-2+H(D) AT LOW ENERGIES", Journal of the Chemical Society-Faraday Transactions 90, 15: 2189 - 2200.

244.	Pais, Aacc; Nalewajski, R. F; Varandas, A. J. C. 1994. "VIRIAL-THEOREM DECOMPOSITION AS A TOOL FOR COMPARING AND IMPROVING POTENTIAL-ENERGY SURFACES - GROUND-STATE LI(3)", Journal of the Chemical Society-Faraday Transactions 90, 10: 1381 - 1390.

245.	Nalewajski, R. F; Formosinho, S. J; Varandas, A. J. C; Mrozek, J.. 1994. "QUANTUM-MECHANICAL VALENCE STUDY OF A BOND-BREAKING BOND-FORMING PROCESS IN TRIATOMIC SYSTEMS", International Journal of Quantum Chemistry 52, 5: 1153 - 1176.

246.	Szichman, H.; Varandas, A. J. C; Baer, M.. 1994. "A 3-DIMENSIONAL QUANTUM-MECHANICAL STUDY OF THE REACTION O+O-3- 2O(2) EMPLOYING A 6-DIMENSIONAL POTENTIAL-ENERGY SURFACE", Chemical Physics Letters 231, 2-3: 253 - 256.

247.	Varandas, A. J. C. 1994. "A NOVEL NON-ACTIVE MODEL TO ACCOUNT FOR THE LEAK OF ZERO-POINT ENERGY IN TRAJECTORY CALCULATIONS - APPLICATION TO H+O2 REACTION NEAR-THRESHOLD", Chemical Physics Letters 225, 1-3: 18 - 27.

248.	Varandas, A. J. C; Marques, J. M. C. 1994. "METHOD FOR QUASI-CLASSICAL TRAJECTORY CALCULATIONS ON POTENTIAL-ENERGY SURFACES DEFINED FROM GRADIENTS AND HESSIANS, AND MODEL TO CONSTRAIN THE ENERGY IN VIBRATIONAL-MODES", Journal of Chemical Physics 100, 3: 1908 - 1920.

249.	Varandas, A. J. C; Voronin, A. I. 1994. "ANALYTICAL POTENTIAL-ENERGY SURFACES FOR ALKALI DIHALIDE MOLECULES BASED ON THE DIATOMICS-IN-MOLECULES FORMALISM - APPLICATION TO LIF2", Chemical Physics Letters 227, 1-2: 133 - 142.

250.	Pais, Aacc; Nalewajski, R. F; Varandas, A. J. C. 1993. "VIRIAL-THEOREM DECOMPOSITION OF POTENTIAL-ENERGY SURFACES - ANALYSIS OF THE DOUBLE MANY-BODY EXPANSION GROUND-STATE SURFACE OF LI3", Journal of the Chemical Society-Faraday Transactions 89, 21: 3885 - 3897.

251.	Varandas, A. J. C. 1993. "EXCITATION-FUNCTION FOR H+O2 REACTION - A STUDY OF ZERO-POINT ENERGY EFFECTS AND ROTATIONAL DISTRIBUTIONS IN TRAJECTORY CALCULATIONS", Journal of Chemical Physics 99, 2: 1076 - 1085.

252.	Varandas, A. J. C; Pais, Aacc. 1993. "DOUBLE MANY-BODY EXPANSION OF THE 2 LOWEST POTENTIAL-ENERGY SURFACES FOR LI-3 AND DYNAMICS OF THE LI+LI-2(UPSILON) REACTION - INITIAL ORIENTATION AND VIBRATIONAL-EXCITATION EFFECTS", Journal of the Chemical Society-Faraday Transactions 89, 10: 1511 - 1526.

253.	Varandas, A. J. C; Nalewajski, R. F. 1993. "VIRIAL-THEOREM CONSTRAINTS ON N-BODY TERMS OF POTENTIAL-ENERGY SURFACES", Chemical Physics Letters 205, 2-3: 253 - 259.

254.	Morais, V. M. F; Varandas, A. J. C. 1992. "EXPONENTIATING TRAJECTORIES ON A REALISTIC POTENTIAL-ENERGY SURFACE FOR NA-3", Journal of Physical Chemistry 96, 14: 5704 - 5709.

255.	Varandas, A. J. C. 1992. "A NEW FORMULATION OF 3-BODY DYNAMIC CORRELATION-ENERGY FOR EXPLICIT POTENTIAL FUNCTIONS", Chemical Physics Letters 194, 4-6: 333 - 340.

256.	Varandas, A. J. C; Marques, J. M. C. 1992. "A DETAILED STATE-TO-STATE LOW-ENERGY DYNAMICS STUDY OF THE REACTION O(P-3) + OH(2-PI)- O2((X)OVER-TILDE3-SIGMA-G-)+H(S-2) USING A QUASI-CLASSICAL TRAJECTORY-INTERNAL-ENERGY QUANTUM-MECHANICAL-THRESHOLD METHOD", Journal of Chemical Physics 97, 6: 4050 - 4065.

257.	Varandas, A. J. C; Dasilva, J. D. 1992. "POTENTIAL MODEL FOR DIATOMIC-MOLECULES INCLUDING THE UNITED-ATOM LIMIT AND ITS USE IN A MULTIPROPERTY FIT FOR ARGON", Journal of the Chemical Society-Faraday Transactions 88, 7: 941 - 954.

258.	Varandas, A. J. C; Brandao, J.; Pastrana, M. R. 1992. "QUASI-CLASSICAL TRAJECTORY CALCULATIONS OF THE THERMAL RATE COEFFICIENTS FOR THE REACTIONS H(D)+O2- OH(D)+O AND O+OH(D)- O2+H(D) AS A FUNCTION OF TEMPERATURE", Journal of Chemical Physics 96, 7: 5137 - 5150.

259.	Lynch, Gillian C; Steckler, Rozeanne; Schwenke, David W; Varandas, Antonio J. C; Truhlar, Donald G; Garrett, Bruce C. 1991. "Use of scaled external correlation, a double many-body expansion, and variational transition state theory to calibrate a potential energy surface for FH2", The Journal of Chemical Physics 94, 11: 7136 - 7149.

260.	Braga, J. P; Varandas, A. J. C. 1990. "QUANTUM AND SEMICLASSICAL ANALYSIS OF SPIN-CHANGE CROSS-SECTIONS FOR THE ALKALI DIATOMIC-MOLECULES", Journal of Physics B-Atomic Molecular and Optical Physics 23, 18: 3113 - 3122.

261.	Decastro, C. A. N; Fareleira, Jmna; Matias, P. M; Ramires, M. L. V; Pais, Aacc; Varandas, A. J. C. 1990. "THERMOPHYSICAL PROPERTIES OF ALKALI-METAL VAPORS .1. THEORETICAL CALCULATION OF THE PROPERTIES OF MONATOMIC SYSTEMS", Berichte Der Bunsen-Gesellschaft-Physical Chemistry Chemical Physics 94, 1: 53 - 59.

262.	Matias, M. A; Varandas, A. J. C. 1990. "ATOM MOLECULE DISPERSION-ENERGY COEFFICIENTS AND THEIR DEPENDENCE ON THE INTRAMOLECULAR COORDINATE - A-H2 SYSTEMS", Molecular Physics 70, 4: 623 - 644.

263.	Pastrana, M. R; Quintales, L. A. M; Brandao, J.; Varandas, A. J. C. 1990. "RECALIBRATION OF A SINGLE-VALUED DOUBLE MANY-BODY EXPANSION POTENTIAL-ENERGY SURFACE FOR GROUND-STATE HO2 AND DYNAMICS CALCULATIONS FOR THE O + OH- O2 + H REACTION", Journal of Physical Chemistry 94, 21: 8073 - 8080.

264.	Varandas, A. J. C. 1990. "CURVE FITTING TO A CONTINUOUS FUNCTION - A USEFUL TOOL IN THEORETICAL CHEMISTRY", Journal of Chemical Education 67, 1: 28 - 30.

265.	Hancock, G. C; Mead, C. A; Truhlar, D. G; Varandas, A. J. C. 1989. "REACTION-RATES OF H(H2), D(H2), AND H(D2) VANDERWAALS MOLECULES AND THE THRESHOLD BEHAVIOR OF THE BIMOLECULAR GAS-PHASE RATE COEFFICIENT", Journal of Chemical Physics 91, 6: 3492 - 3503.

266.	Varandas, A. J. C. 1989. "A SEMIEMPIRICAL METHOD FOR CORRECTING CONFIGURATION-INTERACTION POTENTIAL-ENERGY SURFACES", Journal of Chemical Physics 90, 8: 4379 - 4391.

267.	Morais, Victor M. F; Varandas, A. J. C. 1989. "Dynamics of the Li + Li2? Li2+ Li isoergic exchange reaction. A comparative study on two potential-energy surfaces", Journal of the Chemical Society, Faraday Transactions 2 85, 1: 1 - 10.

268.	Dasilva, J. D; Brandao, J.; Varandas, A. J. C. 1989. "Accurate diatomic curves for Ne2, Ar2, Kr2 and Xe2 form the extended Hartree?Fock approximate correlation energy model", Journal of the Chemical Society, Faraday Transactions 2 85, 12: 1851 - 1875.

269.	Formosinho, S. J; Varandas, A. J. C. 1989. "Energy barriers and molecular structure", Ed. Chem., 26: 118 - 120.

270.	Quintales, L. A. M; Varandas, A. J. C; Alvarino, J. M. 1988. "QUASI-CLASSICAL TRAJECTORY CALCULATIONS OF THE THERMAL RATE COEFFICIENT FOR THE O+OH - O-2+H REACTION ON REALISTIC DOUBLE MANY-BODY EXPANSION POTENTIAL-ENERGY SURFACES FOR GROUND-STATE HO2", Journal of Physical Chemistry 92, 15: 4552 - 4555.

271.	Varandas, A. J. C; Brandao, J.; Quintales, L. A. M. 1988. "A REALISTIC HO2(X2A'') POTENTIAL-ENERGY SURFACE FROM THE DOUBLE MANY-BODY EXPANSION METHOD", Journal of Physical Chemistry 92, 13: 3732 - 3742.

272.	Varandas, A. J. C; Pais, Aacc. 1988. "A REALISTIC DOUBLE MANY-BODY EXPANSION (DMBE) POTENTIAL-ENERGY SURFACE FOR GROUND-STATE O-3 FROM A MULTIPROPERTY FIT TO ABINITIO CALCULATIONS, AND TO EXPERIMENTAL SPECTROSCOPIC, INELASTIC-SCATTERING, AND KINETIC ISOTOPE THERMAL RATE DATA", Molecular Physics 65, 4: 843 - 860.

273.	Varandas, A. J. C; Matias, M. A. 1988. "THE DEPENDENCE OF THE C-6 ATOM-DIATOM DISPERSION ENERGY COEFFICIENT ON THE DIATOMIC VIBRATIONAL COORDINATE - A-H-2 INTERACTIONS", Chemical Physics Letters 148, 2-3: 149 - 157.

274.	Varandas, A.J.C.. 1988. "Double many-body expansion of molecular potential energy functions and the role of long-range forces in the rates of chemical reactions", Journal of Molecular Structure: THEOCHEM 166, .: 59 - 74.

275.	Brandão, J.; Da Silva, J; Varandas, A.J.C.. 1988. "A realistic HFACE potential function for Kr2 (X1Sg+) from spectroscopic and thermophysical data", Journal of Molecular Structure: THEOCHEM 166, .: 187 - 192.

276.	Pais, Aacc; Varandas, A.J.C.. 1988. "Thermal rate coefficients for the 18O+16O2¿18O16O+16O reaction based on a single-valued DMBE potential energy surface for ground-state ozone", Journal of Molecular Structure: THEOCHEM 166, .: 335 - 338.

277.	Varandas, António J. C.. 1988. " Intermolecular and intramolecular potentials - topographical aspects, calculation, and functional representation via a double many-body expansion method ", Advances in Chemical Physics, 74: 255 - 338.

278.	Matias, M. A; Varandas, A. J. C. 1987. "ABINITIO STUDY OF THE HE(S-1)-LI2(X, 1-SIGMA-G+) INTERACTION BY THE SCF AND MP2 METHODS", Journal of Computational Chemistry 8, 6: 761 - 771.

279.	Murrell, J. N; Varandas, A. J. C; Brandao, J.. 1987. "THE RATIONAL FRACTION REPRESENTATION OF DIATOMIC POTENTIALS", Theoretica Chimica Acta 71, 6: 459 - 465.

280.	Varandas, A. J. C. 1987. "A USEFUL TRIANGULAR PLOT OF TRIATOMIC POTENTIAL-ENERGY SURFACES", Chemical Physics Letters 138, 5: 455 - 461.

281.	Varandas, A. J. C. 1987. "ON THE RELATION OF DISPERSION TO INDUCTION ENERGIES, AND TO THEIR DAMPING FUNCTIONS - ION ATOM POTENTIALS - THE X-2-SIGMA-G+ AND 1-2-SIGMA-UT STATES OF H-2+", Molecular Physics 60, 3: 527 - 539.

282.	Varandas, A. J. C. 1987. "THE DOUBLE MANY-BODY EXPANSION OF POTENTIAL-ENERGY SURFACES FROM INTERACTING 2S ATOMS", International Journal of Quantum Chemistry 32, 5: 563 - 574.

283.	Varandas, A.J.C.; Brown, Franklin B; Mead, C. A; Truhlar, Donald G; Blais, Normand C. 1987. "A double many-body expansion of the two lowest-energy potential surfaces and nonadiabatic coupling for H3", The Journal of Chemical Physics 86, 11: 6258 - 6269.

284.	Morais, Victor M. F; Varandas, A.J.C.. 1987. "Are the reactions Li + Na2 and Na + K2 direct or indirect? A dynamics study of semiempirical valence-bond potential-energy surfaces", Journal of the Chemical Society, Faraday Transactions 2 83, 12: 2247 - 2260.

285.	Farrar, J. M; Bowers, M. T; Leone, S. R; Gislason, E. A; Murrell, J. N; Braga, J. P; Dunne, L. J; Guo, H.; Clary, D. C; Varandas, A. J. C; Smith, I. W. M; Rubahn, H-G.; Sathyamurthy, N.; Toennies, J. P. 1987. "General discussion", Faraday Discussions of the Chemical Society 84, .: 351 - 357.

286.	Grice, R.; Schatz, G. C; Clary, D. C; Smith, I. W. M; Connor, J. N. L; Wolfrum, J.; Truhlar, D. G; Lagana, A.; Pack, R. T; Parker, G. A; McKendrick, K. G; Amaee, B.; Whitehead, J. C; Jakubetz, W.; Varandas, A. J. C; Schechter, I.; Levine, R. D. 1987. "General discussion", Faraday Discussions of the Chemical Society 84, .: 405 - 425.

287.	Murrell, J. N; Varandas, A. J. C. 1986. "THE MANY-BODY EXPANSION OF MULTIVALUED SURFACES", Molecular Physics 57, 2: 415 - 420.

288.	Varandas, A. J. C; Formosinho, S. J. 1986. "TRANSITION-STATE BOND EXTENSIONS AND ACTIVATION-ENERGY IN HYDROGEN-ATOM TRANSFER-REACTIONS", Journal of the Chemical Society-Chemical Communications, 2: 163 - 165.

289.	Varandas, A. J. C; Brandao, J.. 1986. "A DOUBLE MANY-BODY EXPANSION OF MOLECULAR-POTENTIAL ENERGY FUNCTIONS .2. APPLICATION TO SELECTED AB2-TYPE VANDERWAALS MOLECULES AND MORE STABLE MOLECULES - THE GROUND-STATE SURFACES OF HEH2, HELI2 AND HO2", Molecular Physics 57, 2: 387 - 414.

290.	Varandas, A. J. C; Morais, V. M. F; Pais, Aacc. 1986. "SEMIEMPIRICAL VALENCE BOND POTENTIAL-ENERGY SURFACES FOR THE ALKALI TRIMERS .2. THE M'M2 SYSTEMS", Molecular Physics 58, 2: 285 - 297.

291.	Varandas, A. J. C; Martins, L. J. A. 1986. "ON THE STABILITY OF A HYDROGEN-LIKE ATOM - THE PARTICLE IN A SPHERICAL BOX REVISITED", Journal of Chemical Education 63, 6: 485 - 486.

292.	Varandas, A.J.C.; Dasilva, J. D. 1986. "Hartree?Fock approximate correlation energy (HFACE) potential for diatomic interactions. Molecules and van der Waals molecules", Journal of the Chemical Society, Faraday Transactions 2 82, 4: 593 - 593.

293.	Varandas, A.J.C.; Formosinho, S. J. 1986. "A general inter-relationship between transition-state bond extensions and the energy barrier to reaction", Journal of the Chemical Society, Faraday Transactions 2 82, 6: 953 - 962.

294.	Garrett, Bruce C; Truhlar, Donald G; Varandas, A. J. C; Blais, Normand C. 1986. "Semiclassical variational transition state calculations for the reactions of H and D with thermal and vibrationally excited H2", International Journal of Chemical Kinetics 18, 9: 1065 - 1077.

295.	Laforgue, A.; Varandas, A. J. C. 1986. "Partition de la force de corrélation dans les molécules diatomiques", Comptes rendus de l'Académie des sciences 302, 7: 395 - 400.

296.	Morais, V. M. F; Varandas, A. J. C. 1985. "ON THE 3RD VIRIAL-COEFFICIENT FOR THE ALKALI-METAL VAPORS", Chemical Physics Letters 113, 2: 192 - 196.

297.	Varandas, A. J. C. 1985. "A GENERAL-APPROACH TO THE POTENTIAL-ENERGY FUNCTIONS OF SMALL POLYATOMIC SYSTEMS - MOLECULES AND VAN DER WAALS MOLECULES", Theochem-Journal of Molecular Structure 21, FEB: 401 - 424.

298.	Varandas, A.J.C.. 1984. "A double many-body expansion of molecular potential energy functions", Molecular Physics 53, 6: 1303 - 1325.

299.	Gil, V. M. S; Varandas, A. J. C; Murrell, J. N. 1983. "ON THE USE OF THE ROTATIONAL ISOMERIC STATE APPROXIMATION IN STUDIES OF INTERNAL-ROTATION", Canadian Journal of Chemistry-Revue Canadienne De Chimie 61, 1: 163 - 170.

300.	Varandas, A. J. C. 1983. "EXPLICIT 3-BODY NON-ADDITIVE TRIPLE DIPOLE DISPERSION ENERGY TERM INCLUDING CHARGE-OVERLAP EFFECTS", Molecular Physics 49, 4: 817 - 828.

301.	Carter, S.; Mills, I. M; Murrell, J. N; Varandas, A. J. C. 1982. "ANALYTICAL POTENTIALS FOR TRIATOMIC-MOLECULES .9. THE PREDICTION OF ANHARMONIC-FORCE CONSTANTS FROM POTENTIAL-ENERGY SURFACES BASED ON HARMONIC FORCE-FIELDS AND DISSOCIATION-ENERGIES FOR SO2 AND O3", Molecular Physics 45, 5: 1053 - 1066.

302.	Gil, V. M. S; Varandas, A. J. C. 1982. "DIPOLE-MOMENTS AND CONFORMATION ENERGIES FOR SUBSTITUTED ETHANES", Canadian Journal of Chemistry-Revue Canadienne De Chimie 60, 16: 2049 - 2056.

303.	Varandas, A. J. C. 1982. "QUASICLASSICAL TRAJECTORY CALCULATIONS FOR H+H2(UPSILON=0,1) ON A POTENTIAL-ENERGY SURFACE FROM FORCE-FIELD DATA", Chemical Physics 69, 3: 295 - 304.

304.	Varandas, A. J. C; Gomes, M. C. A. 1982. "DIFFUSION-COEFFICIENT OF HYDROGEN-ATOMS AND MOLECULES FROM ACCURATE SPHERICALLY AVERAGED H-H2 INTERACTION POTENTIALS", Molecular Physics 45, 2: 317 - 329.

305.	Varandas, A. J. C; Brandao, J.. 1982. "A SIMPLE SEMI-EMPIRICAL APPROACH TO THE INTERMOLECULAR POTENTIAL OF VANDERWAALS SYSTEMS .1. ISOTROPIC INTERACTIONS - APPLICATION TO THE LOWEST TRIPLET-STATE OF THE ALKALI DIMERS", Molecular Physics 45, 4: 857 - 875.

306.	Varandas, A. J. C; Murrell, J. N. 1982. "DYNAMICS OF THE (O+O2)-O-18-O-16(UPSILON=O) EXCHANGE-REACTION ON A NEW POTENTIAL-ENERGY SURFACE FOR GROUND-STATE OZONE", Chemical Physics Letters 88, 1: 1 - 6.

307.	Varandas, A. J. C; Morais, V. M. F. 1982. "SEMI-EMPIRICAL VALENCE BOND POTENTIAL-ENERGY SURFACES FOR HOMONUCLEAR ALKALI TRIMERS", Molecular Physics 47, 5: 1241 - 1251.

308.	Craven, W.; Murrell, J.N.; Varandas, A.J.C.. 1982. "An analytical expression for the minimum of the effective potential of a rotating—vibrating diatomic molecule", Chemical Physics Letters 89, 5: 368 - 370.

309.	Gil, V. M. S; Varandas, A. J. C. 1981. "THE USE OF VICINAL H-H COUPLING-CONSTANTS IN ROTATIONAL-ISOMERISM STUDIES .1", Journal of Magnetic Resonance 43, 1: 28 - 39.

310.	Varandas, A. J. C; Murrell, J. N. 1981. "CHOOSING POINTS IN POTENTIAL-ENERGY SURFACES FOR FITTING POLYNOMIAL FUNCTIONS - APPLICATION OF PERMUTATIONAL SYMMETRY", Chemical Physics Letters 84, 3: 440 - 445.

311.	Varandas, A. J. C; Tennyson, J.. 1981. "ON THE ISOTROPIC AND LEADING ANISOTROPIC TERMS OF THE H-H2 POTENTIAL-ENERGY SURFACE", Chemical Physics Letters 77, 1: 151 - 157.

312.	Varandas, A. J. C. 1980. "ZEROTH-ORDER EXCHANGE ENERGY AS A CRITERION FOR OPTIMIZED ATOMIC BASIS-SETS IN INTER-ATOMIC FORCE CALCULATIONS - APPLICATION TO HE-2", Chemical Physics Letters 69, 2: 222 - 224.

313.	Varandas, A. J. C. 1980. "Hybrid potential function for bound diatomic molecules", Journal of the Chemical Society, Faraday Transactions 2 76, .: 129 - 135.

314.	Varandas, A. J. C. 1979. "LEPS POTENTIAL FOR H-3 FROM FORCE-FIELD DATA", Journal of Chemical Physics 70, 8: 3786 - 3795.

315.	Varandas, A.J.C.; Tennyson, J.; Murrell, J.N.. 1979. "Chercher le croisement", Chemical Physics Letters 61, 3: 431 - 434.

316.	Murrell, J. N; Carter, S.; Varandas, A. J. C. 1978. "ANALYTICAL POTENTIALS FOR TRIATOMIC-MOLECULES FROM SPECTROSCOPIC DATA .4. APPLICATION TO LINEAR-MOLECULES", Molecular Physics 35, 5: 1325 - 1336.

317.	Farantos, S.; Leisegang, E. C; Murrell, J. N; Sorbie, K.; Texeiradias, J. J. C; Varandas, A. J. C. 1977. "ANALYTICAL POTENTIALS FOR TRIATOMIC-MOLECULES FROM SPECTROSCOPIC DATA .3. APPLICATION TO A2B MOLECULES WHOSE SURFACES HAVE MORE THAN ONE MINIMUM", Molecular Physics 34, 4: 947 - 962.

318.	Varandas, A. J. C; Murrell, John N. 1977. "A many-body expansion of polyatomic potential energy surfaces: application to H n systems", Faraday Discussions of the Chemical Society 62, .: 92 - 109.

319.	Varandas, A. J. C; Murrell, John N. 1977. "Potential for the ground state of ammonia", Journal of the Chemical Society, Faraday Transactions 2 73, 7: 939 - 939.

320.	Murrell, J.N.; Varandas, A.J.C.; Guest, M.F.. 1976. " The potential energy surface for the lowest quartet state of H 3 ", Molecular Physics 31, 4: 1129 - 1135.

321.	Murrell, J.N.; Sorbie, K.S.; Varandas, A.J.C.. 1976. "Analytical potentials for triatomic molecules from spectroscopic data", Molecular Physics 32, 5: 1359 - 1372.

322.	Murrell, J.N.; Varandas, A.J.C.. 1975. "Perturbation calculations of rare-gas potentials near the van der Waals minimum", Molecular Physics 30, 1: 223 - 236.

323.	Teixeira-Dias, J.J.C.; Varandas, A.J.C.. 1974. "The calculation of dynamic polarizabilities and long-range disperson energy coefficients", Chemical Physics Letters 26, 2: 197 - 199.

324.	Varandas, A. J. C. 1974. "On the calculation of the relativistic long-range coefficient W4", Chemical Physics Letters 27, 3: 433 - 435.

325.	Teixeira-Dias, J.J.C.; Varandas, A.J.C.. 1973. "The calculation of dynamic polarizabilities and of the dipole-dipole and dipole-quadrupole contributions to the dispersion energy", Molecular Physics 25, 5: 1185 - 1192.

326.	Varandas, A.J.C.; Teixeira-Dias, J.J.C.. 1973. "The calculation of the octopole dynamic polarizability and of the dipole-octopole contribution to the dispersion energy", Molecular Physics 26, 1: 241 - 242.

Produção científica Scientific production

Total

Produção científica Scientific production

326

Artigos científicos em revistas Papers in periodics

326

Com arbitragem científica With scientific refereeing

326

	Adriana Sofia Henriques Branco
	Alberto António Caria Canelas Pais
	Jing Li
	Jorge Manuel Campos Marques
	Paulo Eduardo Martins de Castro Neves de Abreu
	Pedro Jorge dos Santos Branco Caridade
	Sérgio Paulo Jorge Rodrigues