Benchmark Quantum Mechanical Calculations of Vibrationally Resolved Cross Sections and Rate Constants on ab Initio Potential Energy Surfaces for the F + HD Reaction: Comparisons with Experiments-Reference-Cited by-同舟云学术

Benchmark Quantum Mechanical Calculations of Vibrationally Resolved Cross Sections and Rate Constants on ab Initio Potential Energy Surfaces for the F + HD Reaction: Comparisons with Experiments

Published:2016-05-26 Issue:27 Volume:120 Page:5288-5299
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

De Fazio Dario¹,Cavalli Simonetta²,Aquilanti Vincenzo²

Affiliation:

1. Istituto di Struttura della Materia, Consiglio Nazionale delle Ricerche, 00016 Roma, Italy

2. Dipartimento di Chimica, Biologia e Biotecnologie, Università di Perugia, 06123 Perugia, Italy

Funder

Ministero dell’Istruzione, dell’Università e della Ricerca

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.6b01471

Reference83 articles.

1. Observation of a transition state resonance in the integral cross section of the F+HD reaction

2. Resonance-Mediated Chemical Reaction:F+HD→HF+D

3. An accurate multireference configuration interaction calculation of the potential energy surface for the F+H2→HF+H reaction

4. Signatures of reactive resonance: three case studies

5. Time delay as a tool to identify the signatures of reactive resonance: F+HD and F+H2 reactions

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