Coupled 3D time-dependent quantum wave-packet study of the O + OH reaction in hyperspherical coordinates on the CHIPR potential energy surface
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference50 articles.
1. The coupled 3D wave packet approach for triatomic reactive scattering in hyperspherical coordinates
2. Reactant-product decoupling method for state-to-state reactive scattering: A case study for 3D H+H2 exchange reaction (J=0)
3. A Chebyshev method for calculating state-to-state reaction probabilities from the time-independent wavepacket reactant-product decoupling equations
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1. Theoretical study of S + SH reaction on its ground state HS 2 (X 2 A ″ ) potential energy surface;Molecular Physics;2024-06-11
2. Coupled 3D (J ≥ 0) Time-Dependent Wave Packet Calculation for the F + H2 Reaction on Accurate Ab Initio Multi-State Diabatic Potential Energy Surfaces;The Journal of Physical Chemistry A;2024-02-15
3. 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
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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