Ab initio molecular dynamics study of solvated electrons in methanol clusters-Reference-Cited by-同舟云学术

Ab initio molecular dynamics study of solvated electrons in methanol clusters

Published:2018 Issue:45 Volume:20 Page:28741-28750
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Mones Letif¹²³⁴⁵,Pohl Gábor⁶⁷⁸⁹¹⁰,Turi László¹¹¹²¹³^ORCID

Affiliation:

1. Mathematics Institute

2. University of Warwick

3. Zeeman Building

4. Coventry

5. UK

6. Department of Chemistry

7. Hunter College

8. CUNY

9. New York

10. USA

11. Eötvös Loránd University

12. Department of Physical Chemistry

13. Hungary

Abstract

Stable surface excess electronic states in small methanol cluster anions were identified and characterized in ab initio molecular dynamics simulations.

Funder

Nemzeti Kutatási, Fejlesztési és Innovációs Hivatal

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/C8CP05052J

Reference68 articles.

1. Role of Water in Electron-Initiated Processes and Radical Chemistry: Issues and Scientific Advances

2. Electrons in liquid alcohols at low temperatures

3. Theoretical models for solvated electrons

4. Forbidden matrix proton spin flip satelites in 70 GHz ESP spectra of solvated electrons. A geometrical model for the solvated electron in Methanol glass

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