A global CHIPR potential energy surface for ground-state C3H and exploratory dynamics studies of reaction C2 + CH → C3 + H-Reference-Cited by-同舟云学术

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A global CHIPR potential energy surface for ground-state C3H and exploratory dynamics studies of reaction C2 + CH → C3 + H

Published:2019 Issue:44 Volume:21 Page:24406-24418
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Rocha C. M. R.¹²³⁴^ORCID,Varandas A. J. C.¹²³⁴⁵^ORCID

Affiliation:

1. Department of Chemistry and Coimbra Chemistry Centre

2. University of Coimbra

3. 3004-535 Coimbra

4. Portugal

5. School of Physics and Physical Engineering

Abstract

Schematic representation of C₃H potential energy surface highlighting stationary points and interconversion pathways.

Funder

Department of Science and Technology of Shandong Province

Fundação para a Ciência e a Tecnologia

European Regional Development Fund

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP04890A

Reference74 articles.

1. 2018 Census of Interstellar, Circumstellar, Extragalactic, Protoplanetary Disk, and Exoplanetary Molecules

2. Experimental Investigation on the Formation of Carbon-Bearing Molecules in the Interstellar Medium via Neutral−Neutral Reactions

3. Rapid neutral-neutral reactions at low temperatures: a new network and first results for TMC-1

4. The temperature-dependence of rapid low temperature reactions: experiment, understanding and prediction

5. The gas-phase chemistry of carbon chains in dark cloud chemical models

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