Wave packet calculations on ion-molecule reactions
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference50 articles.
1. Vibronic coupling at intersections of covalent and ionic states
2. Energy transfer in collisions of an excited sodium atom with a nitrogen molecule
3. Effects of Surface Crossing in Chemical Reactions: The H3+ System
4. Trajectory Surface Hopping Approach to Nonadiabatic Molecular Collisions: The Reaction of H+ with D2
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1. Coupled three-dimensional quantum mechanical wave packet study of proton transfer in H2+ + He collisions on accurate ab initio two-state diabatic potential energy surfaces;The Journal of Chemical Physics;2023-07-17
2. Accurate Calculation of Rate Constant and Isotope Effect for the F + H2 Reaction by the Coupled 3D Time-Dependent Wave Packet Method on the Newly Constructed Ab Initio Ground Potential Energy Surface;The Journal of Physical Chemistry A;2022-05-20
3. Near-resonant effects in the quantum dynamics of the H + H2+ → H2 + H+ charge transfer reaction and isotopic variants;The Journal of Chemical Physics;2021-03-14
4. Charge Transfer Processes for H + H2+ Reaction Employing Coupled 3D Wavepacket Approach on Beyond Born–Oppenheimer Based Ab Initio Constructed Diabatic Potential Energy Surfaces;The Journal of Physical Chemistry A;2021-01-19
5. Dynamical calculations of O(3P) + OH(2Π) reaction on the CHIPR potential energy surface using the fully coupled time-dependent wave-packet approach in hyperspherical coordinates;Physical Chemistry Chemical Physics;2021
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