Quasi-Classical Trajectory Study of Atom–Diatomic Molecule Collisions in Symmetric Hyperspherical Coordinates: The F + HCl Reaction as a Test Case-Reference-Cited by-同舟云学术

Quasi-Classical Trajectory Study of Atom–Diatomic Molecule Collisions in Symmetric Hyperspherical Coordinates: The F + HCl Reaction as a Test Case

Published:2016-03-29 Issue:13 Volume:120 Page:2059-2069
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Freixas-Lemus Victor Manuel¹,Martínez-Mesa Aliezer¹,Uranga-Piña Llinersy¹

Affiliation:

1. DynAMoS (Dynamical processes in Atomic and Molecular Systems), Facultad de Física, Universidad de la Habana, San Lázaro y L, La Habana 10400, Cuba

Funder

Programa Nacional de Ciencias Básicas

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.5b11525

Reference54 articles.

1. My Adventures in Theoretical Chemistry

2. Ragni, M.; Peixoto Bitencourt, A. C.; Aquilanti, V.Hyperspherical and Related Types of Coordinates for the Dynamical Treatment of Three-Body Systems;Lahmar, S., Eds.; Topics in the Theory of Chemical and Physical Systems,Springer 2007; pp123–146.

3. Interactive tool for visualization of adiabatic adjustment in APH coordinates for computational studies of vibrational motion and chemical reactions

4. Visualization of Potential Energy Function Using an Isoenergy Approach and 3D Prototyping

5. Numerical generation of hyperspherical harmonics for tetra-atomic systems

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