Quantum Roaming in the Complex-Forming Mechanism of the Reactions of OH with Formaldehyde and Methanol at Low Temperature and Zero Pressure: A Ring Polymer Molecular Dynamics Approach-Reference-Cited by-同舟云学术

Quantum Roaming in the Complex-Forming Mechanism of the Reactions of OH with Formaldehyde and Methanol at Low Temperature and Zero Pressure: A Ring Polymer Molecular Dynamics Approach

Published:2019-04-02 Issue:8 Volume:10 Page:1900-1907
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

del Mazo-Sevillano Pablo¹,Aguado Alfredo¹^ORCID,Jiménez Elena²³^ORCID,Suleimanov Yury V.⁴⁵^ORCID,Roncero Octavio⁶^ORCID

Affiliation:

1. Unidad Asociada UAM-CSIC, Departamento de Química Física Aplicada, Facultad de Ciencias M-14, Universidad Autónoma de Madrid, 28049 Madrid, Spain

2. Departamento de Química Física, Facultad de Ciencias y Tecnologías Químicas, Universidad de Castilla La Mancha, Avda. Camilo José Cela 1B, 13071 Ciudad Real, Spain

3. Instituto de Investigación en Combustión y Contaminación Atmosférica, Universidad de Castilla La Mancha, Camino de Moledores s/n, 13071 Ciudad Real, Spain

4. Computation-based Science and Technology Research Center, Cyprus Institute, 20 Kavafi Str., Nicosia 2121, Cyprus

5. Department of Chemical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States

6. Instituto de Física Fundamental (IFF-CSIC), C.S.I.C., Serrano 123, 28006 Madrid, Spain

Funder

European Regional Development Fund

Research Promotion Foundation

Ministerio de Econom?a y Competitividad

FP7 Ideas: European Research Council

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry