A Quasiclassical Trajectory Study of the Cl + HCN → HCl + CN Reaction Dynamics. Microscopic Reaction Mechanism of the H(Cl) + HCN → H2(HCl) + CN Reactions

Author:

Troya Diego1,González Miguel2,Wu Guosheng3,Schatz George C.3

Affiliation:

1. Departamento de Química, Universidad de La Rioja, C/Madre de Dios 51, 26006 Logroño, Spain

2. Departamento de Química Física i Centre de Recerca en Química Teòrica, Universitat de Barcelona, C/Martí i Franquès 1, 08028 Barcelona, Spain

3. Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208-3113

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Cited by 14 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

1. Post-transition state dynamics and product energy partitioning following thermal excitation of the F⋯HCH2CN transition state: Disagreement with experiment;The Journal of Chemical Physics;2017-10-14

2. Perspective: chemical dynamics simulations of non-statistical reaction dynamics;Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences;2017-03-20

3. Roaming;Molecular Physics;2014-04-10

4. Competition between abstraction and exchange channels in H + HCN reaction: Full-dimensional quantum dynamics;The Journal of Chemical Physics;2013-12-14

5. Roaming Radicals;Annual Review of Physical Chemistry;2011-05-05

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