An aspect of molecular dynamics on the CI potential energy surface
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference18 articles.
1. Formulation of the reaction coordinate
2. Constituent analysis of the potential gradient along a reaction coordinate. Method and an application to methane + tritium reaction
3. Reaction ergodography. Methane-tritium reaction
4. The intrinsic reaction coordinate. An ab initio calculation for HNC→HCN and H−+CH4→CH4+H−
Cited by 6 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. An examination of the 2 1A1 states of formaldehyde and ketene including analytic configuration interaction energy first derivatives for singlet excited electronic states of the same symmetry as the ground state;The Journal of Chemical Physics;1987-12-15
2. Potential energy surfaces for polyatomic reaction dynamics;Chemical Reviews;1987-02-01
3. An interplay between the phenomenon of chemical isomerism and symmetry requirements: A perennial source of stimuli for molecular-structure concepts, as well as for algebraic and computational chemistry;Computers & Mathematics with Applications;1986-05
4. AN INTERPLAY BETWEEN THE PHENOMENON OF CHEMICAL ISOMERISM AND SYMMETRY REQUIREMENTS: A PERENNIAL SOURCE OF STIMULI FOR MOLECULAR-STRUCTURE CONCEPTS, AS WELL AS FOR ALGEBRAIC AND COMPUTATIONAL CHEMISTRY††Dedicated to the 50th anniversary of the publishing of Pólya's Hauptsatz[234].;Symmetry;1986
5. Ab initio study of the X, ã, Ã and B states of formaldehyde;J. Chem. Soc., Faraday Trans. 2;1985
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