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Molecular structure, FT IR, NMR, UV, NBO and HOMO–LUMO of 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile by DFT/B3LYP and PBEPBE methods with LanL2DZ and 6-311 ++G(d,2p) basis sets
Khajehzadeh, Mostafa, Moghadam, MajidVolume:
180
Language:
english
Journal:
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
DOI:
10.1016/j.saa.2017.02.055
Date:
June, 2017
File:
PDF, 2.35 MB
english, 2017