Nature of the Interaction of Pyridines with OCS. A Theoretical Investigation

Ab initio calculations were carried out to investigate the interaction between <i>para</i>-substituted pyridines (X-C<sub>5</sub>H<sub>4</sub>N, X=NH<sub>2</sub>, CH<sub>3</sub>, H, CN, NO<sub>2</sub>) and OCS. Three stable stru...

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Bibliographic Details
Main Authors: Sumitra Bhattarai, Dipankar Sutradhar, Asit K. Chandra, Therese Zeegers-Huyskens
Format: Article
Language:English
Published: MDPI AG 2020-01-01
Series:Molecules
Subjects:
ocs
Online Access:https://www.mdpi.com/1420-3049/25/2/416