Antonio Joaquim Campos Varandas
AuthID: R-000-22Z
131
TITLE: Three-dimensional quantum mechanical rate constants for the reaction O+O3→2O2, employing a six-dimensional potential energy surface Full Text
AUTHORS: Szichman, H; Varandas, AJC; Baer, M;
PUBLISHED: 1995, SOURCE: The Journal of Chemical Physics - J. Chem. Phys., VOLUME: 102, ISSUE: 8
AUTHORS: Szichman, H; Varandas, AJC; Baer, M;
PUBLISHED: 1995, SOURCE: The Journal of Chemical Physics - J. Chem. Phys., VOLUME: 102, ISSUE: 8
132
TITLE: Virial theorem decomposition as a tool for comparing and improving potential-energy surfaces: ground-state Li3 Full Text
AUTHORS: Pais, AACC; Nalewajski, RF; Varandas, AJC;
PUBLISHED: 1994, SOURCE: Faraday Trans. - Journal of the Chemical Society, Faraday Transactions, VOLUME: 90, ISSUE: 10
AUTHORS: Pais, AACC; Nalewajski, RF; Varandas, AJC;
PUBLISHED: 1994, SOURCE: Faraday Trans. - Journal of the Chemical Society, Faraday Transactions, VOLUME: 90, ISSUE: 10
133
TITLE: Dynamics calculations and isotopic effect in O + OH(D)? O2+ H(D) at low energies Full Text
AUTHORS: Jorge M C Marques; Wenli Wang; Ant�nio J C Varandas;
PUBLISHED: 1994, SOURCE: Faraday Trans. - Journal of the Chemical Society, Faraday Transactions, VOLUME: 90, ISSUE: 15
AUTHORS: Jorge M C Marques; Wenli Wang; Ant�nio J C Varandas;
PUBLISHED: 1994, SOURCE: Faraday Trans. - Journal of the Chemical Society, Faraday Transactions, VOLUME: 90, ISSUE: 15
134
TITLE: Method for quasiclassical trajectory calculations on potential energy surfaces defined from gradients and Hessians, and model to constrain the energy in vibrational modes Full Text
AUTHORS: Varandas, AJC; Marques, JMC;
PUBLISHED: 1994, SOURCE: The Journal of Chemical Physics - J. Chem. Phys., VOLUME: 100, ISSUE: 3
AUTHORS: Varandas, AJC; Marques, JMC;
PUBLISHED: 1994, SOURCE: The Journal of Chemical Physics - J. Chem. Phys., VOLUME: 100, ISSUE: 3
135
TITLE: Double many-body expansion of the two lowest potential-energy surfaces for Li3 and dynamics of the Li + Li2(v) reaction. Initial orientation and vibrational excitation effects Full Text
AUTHORS: Ant�nio J C Varandas; Alberto A C C Pais;
PUBLISHED: 1993, SOURCE: Faraday Trans. - Journal of the Chemical Society, Faraday Transactions, VOLUME: 89, ISSUE: 10
AUTHORS: Ant�nio J C Varandas; Alberto A C C Pais;
PUBLISHED: 1993, SOURCE: Faraday Trans. - Journal of the Chemical Society, Faraday Transactions, VOLUME: 89, ISSUE: 10
136
TITLE: Virial theorem decomposition of potential-energy surfaces. Analysis of the double many-body expansion ground-state surface of Li3 Full Text
AUTHORS: Pais, AACC; Nalewajski, RF; Varandas, AJC;
PUBLISHED: 1993, SOURCE: Faraday Trans. - Journal of the Chemical Society, Faraday Transactions, VOLUME: 89, ISSUE: 21
AUTHORS: Pais, AACC; Nalewajski, RF; Varandas, AJC;
PUBLISHED: 1993, SOURCE: Faraday Trans. - Journal of the Chemical Society, Faraday Transactions, VOLUME: 89, ISSUE: 21
137
TITLE: Excitation function for H+O2 reaction: A study of zero-point energy effects and rotational distributions in trajectory calculations Full Text
AUTHORS: Varandas, AJC;
PUBLISHED: 1993, SOURCE: The Journal of Chemical Physics - J. Chem. Phys., VOLUME: 99, ISSUE: 2
AUTHORS: Varandas, AJC;
PUBLISHED: 1993, SOURCE: The Journal of Chemical Physics - J. Chem. Phys., VOLUME: 99, ISSUE: 2
138
TITLE: Potential model for diatomic molecules including the united-atom limit and its use in a multiproperty fit for argon Full Text
AUTHORS: Ant�nio J C Varandas; Jos� Dias da Silva;
PUBLISHED: 1992, SOURCE: Faraday Trans. - Journal of the Chemical Society, Faraday Transactions, VOLUME: 88, ISSUE: 7
AUTHORS: Ant�nio J C Varandas; Jos� Dias da Silva;
PUBLISHED: 1992, SOURCE: Faraday Trans. - Journal of the Chemical Society, Faraday Transactions, VOLUME: 88, ISSUE: 7
139
TITLE: Exponentiating trajectories on a realistic potential energy surface for sodium trimer
AUTHORS: Morais, VMF; Varandas, AJC;
PUBLISHED: 1992, SOURCE: The Journal of Physical Chemistry - J. Phys. Chem., VOLUME: 96, ISSUE: 14
AUTHORS: Morais, VMF; Varandas, AJC;
PUBLISHED: 1992, SOURCE: The Journal of Physical Chemistry - J. Phys. Chem., VOLUME: 96, ISSUE: 14
140
TITLE: Quasiclassical 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 Full Text
AUTHORS: Varandas, AJC; Brandão, J; Pastrana, MR;
PUBLISHED: 1992, SOURCE: The Journal of Chemical Physics - J. Chem. Phys., VOLUME: 96, ISSUE: 7
AUTHORS: Varandas, AJC; Brandão, J; Pastrana, MR;
PUBLISHED: 1992, SOURCE: The Journal of Chemical Physics - J. Chem. Phys., VOLUME: 96, ISSUE: 7
