Time-Dependent Quantum Dynamics Study of the Cl + HD Reaction-Reference-Cited by-同舟云学术

Time-Dependent Quantum Dynamics Study of the Cl + HD Reaction

Published:2000-10-10 Issue:45 Volume:104 Page:10517-10525
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Yang Ben-Hui¹,Yin Hong-Ming¹,Han Ke-Li¹,Zhang John Z. H.²

Affiliation:

1. Center for Computational Chemistry, State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China

2. Department of Chemistry, New York University, New York, New York 10003

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0014115

Reference48 articles.

1. Kinetics of the Cl–H2 system. III. The deuterium isotope effect in Cl+H2

2. Thermal rate constants for the Cl+H2 and Cl+D2 reactions between 296 and 3000 K

3. An Improved Potential Energy Surface for the H2Cl System and Its Use for Calculations of Rate Coefficients and Kinetic Isotope Effects

4. Quantum Mechanical Rate Coefficients for the Cl + H2 Reaction

5. Reaction Cross Sections and Rate Constants for the Cl + H2(D2) → HCl(DCl) + H(D) Reaction from Quasiclassical Trajectory Calculations on an ab Initio Potential Energy Surface

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1. Significant Isotope Effects from the Nonadiabatic Couplings in the Cl(²P) + HD(v = 0, j = 0) Reaction;The Journal of Physical Chemistry A;2024-04-22

2. Quantum dynamics studies on reactive scattering of Cl with rotationally excited H2;Computational and Theoretical Chemistry;2024-03

3. Quantum Dynamics Studies on Reactive Scattering of Cl with Rotationally Excited H2;2023

4. Quantum dynamics studies of isotope effects in the Mg+(3p) + HD → MgH+/MgD+ + D/H insertion reaction;Scientific Reports;2020-02-25

5. Dynamics study on the non-adiabatic Na(3p) + HD → NaH/NaD + D/H reaction: insertion–abstraction mechanism;Physical Chemistry Chemical Physics;2020