Full dimensional potential energy surface and low temperature dynamics of the H2CO + OH → HCO + H2O reaction-Reference-Cited by-同舟云学术

Full dimensional potential energy surface and low temperature dynamics of the H2CO + OH → HCO + H2O reaction

Published:2018 Issue:8 Volume:20 Page:5415-5426
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Zanchet Alexandre¹²³⁴,del Mazo Pablo¹²³⁴,Aguado Alfredo⁵⁶⁷⁸⁹^ORCID,Roncero Octavio¹²³⁴^ORCID,Jiménez Elena¹⁰¹¹¹²¹³⁴,Canosa André¹⁴¹⁵¹⁶¹⁷^ORCID,Agúndez Marcelino¹⁸²¹⁹⁴,Cernicharo José¹⁸²¹⁹⁴

Affiliation:

1. Instituto de Física Fundamental

2. Consejo Superior de Investigaciones Científicas

3. 28006 Madrid

4. Spain

5. Departamento de Química Física Aplicada

6. Unidad Asociada IFF-CSIC

7. Facultad de Ciencias C-XIV

8. Universidad Autónoma de Madrid

9. 28049 Madrid

10. Departamento de Química Física

11. Facultad de Ciencias y Tecnologías Químicas

12. Universidad de Castilla La Mancha

13. 13071 Ciudad Real

14. Institut de Physique de Rennes

15. UMR 6251 CNRS-Université de Rennes 1

16. Rennes

17. France

18. Instituto de Ciencias de Materiales

19. 28049 Cantoblanco

Abstract

A method is proposed to represent the potential energy surface of reactions involving polyatomic molecules, describing accurately long range interactions and saddle points, to describe low temperature collisions.

Funder

Ministerio de Ciencia e Innovación

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C7CP05307J

Reference63 articles.

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4. Laboratory Studies of the Formation of Methanol and Other Organic Molecules by Water+Carbon Monoxide Radiolysis: Relevance to Comets, Icy Satellites, and Interstellar Ices

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