Three-dimensional wavepacket study of the reaction OH + H2 → H2O + H: a mixed quantal/classical approach
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference53 articles.
1. Quantum reactive scattering of four‐atom reactions with nonlinear geometry: OH+H2→H2O+H
2. Quantum scattering calculations on the OH+H2(v=0,1), OH+D2, and OD+H2reactions
3. Mode selectivity in reactions of H with HOD(100), HOD(001), and HOD(002)
4. Quantum calculations of mode specificity in reactions of H with HOD and H2O
5. Adiabaticity of the nonreactive bond in atom-triatom reactions: a quantum mechanical study of the hydrogen atom + water .fwdarw. hydroxyl + hydrogen system
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1. Direct mixed-quantum/classical computations of k(T). An analysis of the use of different coordinate systems;International Journal of Quantum Chemistry;2010-08-31
2. Applications of Mixed-Quantum/Classical Trajectories to the Study of Nuclear Quantum Effects in Chemical Reactions and Vibrational Relaxation Processes;Advances in Quantum Chemistry;2010
3. An improved treatment of spectator mode vibrations in reduced dimensional quantum dynamics: Application to the hydrogen abstraction reactions μ+CH4, H+CH4, D+CH4, and CH3+CH4;The Journal of Chemical Physics;2009-07-28
4. Scientific Contributions of Gert Due Billing;The Journal of Physical Chemistry A;2004-10-01
5. The accuracy of the quantum/classical time-dependent self-consistent field treatment to reaction dynamics of large systems;Chemical Physics Letters;2004-01
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