NBO, conformational, NLO, HOMO–LUMO, NMR and electronic spectral study on 1-phenyl-1-propanol by quantum computational methods

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Title
NBO, conformational, NLO, HOMO–LUMO, NMR and electronic spectral study on 1-phenyl-1-propanol by quantum computational methods
Authors
Keywords
1-Phenyl-1-propanol, Chemical shifts, NBO, Hyperpolarizability, HOMO–LUMO, Fukui function
Journal
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
Volume 137, Issue -, Pages 306-320
Publisher
Elsevier BV
Online
2014-09-02
DOI
10.1016/j.saa.2014.08.039

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