Theoretical modelling of the dynamics of primary photoprocess of cyclopropanone-Reference-Cited by-同舟云学术

Theoretical modelling of the dynamics of primary photoprocess of cyclopropanone

Published:2019 Issue:5 Volume:21 Page:2489-2498
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Filatov Michael¹²³⁴^ORCID,Min Seung Kyu¹⁵⁶⁷⁴^ORCID,Choi Cheol Ho¹²³⁴

Affiliation:

1. Department of Chemistry

2. Kyungpook National University

3. Daegu 702-701

4. South Korea

5. School of Natural Sciences

6. Ulsan National Institute of Science and Technology (UNIST)

7. Ulsan 44919

Abstract

Photodecomposition of cyclopropanone is investigated by static quantum chemical calculations and non-adiabatic molecular dynamics (NAMD) simulations.

Funder

National Research Foundation of Korea

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/C8CP07104G

Reference63 articles.

1. Cyclopropanones

2. J. G. Calvert , R. G.Derwent , J. J.Orlando , G. S.Tyndall and T. J.Wallington , Mechanisms of Atmospheric Oxidation of the Alkanes , Oxford University Press , Oxford , 2008 , pp. 725–745

3. ON THE FORMATION AND ISOMER SPECIFIC DETECTION OF PROPENAL (C2H3CHO) AND CYCLOPROPANONE (c-C3H4O) IN INTERSTELLAR MODEL ICES—A COMBINED FTIR AND REFLECTRON TIME-OF-FLIGHT MASS SPECTROSCOPIC STUDY

4. Thermal, photochemical, and photophysical processes in cyclopropanone vapor

5. Photochemistry of cyclopropanone

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