Open AccessNatural Bond Orbital (NBO) Population Analysis of 1-Azanapthalene-8-ol
Author(s) -
Rubarani P. Gangadharan,
S. Sampath Krishnan
Publication year - 2014
Publication title -
acta physica polonica. a
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.217
H-Index - 38
eISSN - 1898-794X
pISSN - 0587-4246
DOI - 10.12693/aphyspola.125.18
Subject(s) - natural bond orbital , hyperpolarizability , polarizability , basis set , dipole , molecule , molecular orbital , delocalized electron , computational chemistry , bond order , orbital hybridisation , molecular physics , density functional theory , chemistry , materials science , atomic physics , bond length , physics , valence bond theory , organic chemistry