Open AccessQuantum-chemical simulation of the interaction of 2-methyl-5,7-dinitrobenzo[d]oxazole with tetrahydride borate ion by DFT method
Author(s) -
И. В. Блохин,
Yury Atroshchenko,
I. V. Shakhkel’dyan,
Loik G. Mukhtorov,
Maria B. Nikishina,
Е. В. Иванова,
К. И. Кобраков
Publication year - 2019
Publication title -
butlerovskie soobŝeniâ
Language(s) - English
Resource type - Journals
ISSN - 2074-0212
DOI - 10.37952/roi-jbc-01/19-59-8-40
Subject(s) - natural bond orbital , chemistry , mulliken population analysis , nucleophile , density functional theory , computational chemistry , molecule , atoms in molecules , methoxide , ion , carbon fibers , crystallography , organic chemistry , materials science , composite number , composite material , catalysis