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A Theoretical Study of NBO, NICS, and 14 N NQR Parameters of Adenine Tautomers in the Gas Phase via DFT
Author(s) -
Zahedi Ehsan
Publication year - 2012
Publication title -
journal of heterocyclic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.321
H-Index - 59
eISSN - 1943-5193
pISSN - 0022-152X
DOI - 10.1002/jhet.857
Subject(s) - tautomer , natural bond orbital , chemistry , lone pair , aromaticity , computational chemistry , density functional theory , chemical shift , crystallography , stereochemistry , molecule , organic chemistry