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Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 112, Issue , 2013, Pages 351-363

Vibrational analysis, electronic structure and nonlinear optical properties of Levofloxacin by density functional theory

(3) Gunasekaran, Sethu a Rajalakshmi, K b Kumaresan, Subramanian c

a PACHAIYAPPA S COLLEGE (India)

b SCSVMV UNIVERSITY (India)

c ARIGNAR ANNA GOVT ARTS COLLEGE (India)

Author keywords

DFT; FT IR; HOMO LUMO; Hyperpolarizability; Levofloxacin; MESP

Indexed keywords

CHARGE TRANSFER; CHEMICAL BONDS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; FINITE ELEMENT METHOD; FOURIER SERIES; MOLECULES; NONLINEAR OPTICS; OPTICAL PROPERTIES; POTENTIAL ENERGY; THERMODYNAMIC PROPERTIES;

FIRST-ORDER HYPERPOLARIZABILITY; HARMONIC VIBRATIONAL FREQUENCIES; HOMO-LUMO; HYPER-POLARIZABILITY; LEVOFLOXACIN; MESP; MOLECULAR ELECTROSTATIC POTENTIALS; NATURAL BOND ORBITAL ANALYSIS;

DENSITY FUNCTIONAL THEORY;

EID: 84877834610 PISSN: 13861425 EISSN: None Source Type: Journal
DOI: 10.1016/j.saa.2013.04.074 Document Type: Article

Times cited : (52)

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