Calculation of the infrared spectra of organophosphorus compounds and prediction of new types of nerve agents-Reference-Cited by-同舟云学术

Calculation of the infrared spectra of organophosphorus compounds and prediction of new types of nerve agents

Published:2022 Issue:18 Volume:46 Page:8653-8661
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Kim Honghyun¹,Yoon Ung Hwi²,Ryu Tae In³^ORCID,Jeong Hey Jin²,il Kim Sung²,Park Jinseon²^ORCID,Kye Young Sik²,Hwang Seung-Ryul³,Kim Dongwook²,cho Yoonjae³,Jeong Keunhong²^ORCID

Affiliation:

1. Department of Civil Engineering and Environmental Sciences, Korea Military Academy, Seoul, 01805, South Korea

2. Department of Physics and Chemistry, Korea Military Academy, Seoul, 01805, South Korea

3. Accident Coordination and Training Division, National Institute of Chemical Safety (NICS), 270 Osongsaengmyeong 11-ro, Heungdeok-gu, Cheongju, Chungcheongbuk-do, 28164, South Korea

Abstract

IR prediction of Novichok candidates is performed by establishing an accurate DFT calculation method on organophosphorus compounds.

Funder

National Research Foundation of Korea

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2022/NJ/D2NJ00850E

Reference35 articles.

1. Y.Sun and K. Y.Ong , Detection Technologies for Chemical Warfare Agents and Toxic Vapors , CRC Press , 2004