Geometry optimization, HOMO and LUMO energy, molecular electrostatic potential, NMR, FT-IR and FT-Raman analyzes on 4-nitrophenol

Author: Gandhimathi Rajendran   Dheivamalar Sethuraman   Dhanasekaran Ramasamy  

Publisher: Edp Sciences

E-ISSN: 1286-0050|69|1|10202-10202

ISSN: 1286-0042

Source: EPJ Applied Physics (The), Vol.69, Iss.1, 2015-01, pp. : 10202-10202

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Abstract