Force Fields for Molecular Modeling of Sarin and its Simulants: DMMP and DIMP-Reference-Cited by-同舟云学术

Force Fields for Molecular Modeling of Sarin and its Simulants: DMMP and DIMP

Published:2021-04-19 Issue:16 Volume:125 Page:4086-4098
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Emelianova Alina¹,Basharova Elizaveta A.²,Kolesnikov Andrei L.³,Arribas Evaristo Villaseco¹,Ivanova Ella V.¹,Gor Gennady Y.¹^ORCID

Affiliation:

1. Otto H. York Department of Chemical and Materials Engineering, New Jersey Institute of Technology, University Heights, Newark, New Jersey 07102, United States

2. Institut für Theoretische Physik, Universität Leipzig, Brüderstr. 15, 04103 Leipzig, Germany

3. Institut für Nichtklassische Chemie e.V., Permoserstr. 15, 04318 Leipzig, Germany

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.0c10505

Reference61 articles.

1. Destruction and Detection of Chemical Warfare Agents

2. Rapid destruction of sarin surrogates by gas phase reactions with focus on diisopropyl methylphosphonate (DIMP)

3. Detection of organophosphorus compounds using a surface acoustic wave array sensor based on supramolecular self-assembling imprinted films

4. Hydrogen-bonding interactions in crown-(thio)urea complexes with anions, chemical warfare agents and simulants

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