Extended active space CASSCF/MRSD CI calculations of the barrier height for the reaction O+H2→OH+H
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.452544
Reference16 articles.
1. Theoretical studies of the O+H2 reaction
2. A comparative study of the reaction dynamics of several potential energy surfaces of O(3P)+H2→OH+H. I
3. A comparative study of the reaction dynamics of the O(3P)+H2 → OH+H reaction on several potential energy surfaces. III. Collinear exact quantum transmission coefficient correction to transition state theory
4. Test of variational transition state theory and multidimensional semiclassical transmission coefficients methods against accurate quantal rate constants for H + H2/HD, D + H2, and O + H2/D2/HD, including intra- and intermolecular kinetic isotope effects
5. A theoretical study of the potential energy surface for O(3P)+H2
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4. Nonadiabatic quantum dynamics in O(3P)+H2→OH+H: A revisited study;Journal of Computational Chemistry;2011-09-21
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