Open AccessSimulation of Structure, Molecular Orbitals, Electron Density and Reactivity Aspects of Rubber Vulcanization Accelerator 2-Mercaptobenzothiazole by Density Functional Theory
Author(s) -
Vinesh Vijayan,
E. Purushothaman,
V. Arjunan,
S. Mohan
Publication year - 2018
Publication title -
asian journal of chemistry/asian journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.145
H-Index - 34
eISSN - 0975-427X
pISSN - 0970-7077
DOI - 10.14233/ajchem.2018.21419
Subject(s) - chemistry , vulcanization , reactivity (psychology) , atomic orbital , density functional theory , molecular orbital , computational chemistry , electron , natural rubber , molecule , organic chemistry , physics , nuclear physics , medicine , alternative medicine , pathology