Theoretical modelling of the dynamics of primary photoprocess of cyclopropanone
Author:
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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