A three-dimensional quantum mechanical study of the F + H2/D2 reactions. On a new potential energy surface
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference43 articles.
1. A quantum mechanical study of the reactive F + H2 system. A comparison between approximate (jz), exact and quasi-classical cross sections
2. Cross Sections and Rate-Constants for the F + X2(.nu.=0,j) .fwdarw. XF + X; X = H, D Reactions: A Three-Dimensional Quantum Mechanical Calculation
3. An improved potential energy surface for F+H2→HF+H and H+H′F→HF+H′
4. Use of scaled external correlation, a double many‐body expansion, and variational transition state theory to calibrate a potential energy surface for FH2
5. K. Stark and H.-J. Werner, submitted for publication.
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2. 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
3. Steepest-entropy-ascent nonequilibrium quantum thermodynamic framework to model chemical reaction rates at an atomistic level;Physical Review E;2017-04-24
4. Conical intersections and diabatic potential energy surfaces for the three lowest electronic singlet states of H3+;The Journal of Chemical Physics;2014-11-28
5. Some Trends in Quantum Thermodynamics;Entropy;2014-06-23
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