Vibrational spectroscopy investigation and HOMO, LUMO analysis using DFT (B3LYP) on the structure of 1,3-dichloro 5-nitrobenzene

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 81, Issue 1, 2011, Pages 242-250

  Gayathri, R ^a   Arivazhagan, M ^b  

^a CAUVERY COLLEGE FOR WOMEN   (India)

^b AA Govt Arts College   (India)

Author keywords

DCNB; FT Raman; FTIR; HOMO; LUMO; TED

Indexed keywords

DCNB; FT-RAMAN; FTIR; HOMO; LUMO; TED;

CHARGE TRANSFER; NITROBENZENE;

VIBRATION ANALYSIS;

CARBON; HYDROGEN; NITROBENZENE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; HYDROGEN BOND; METHODOLOGY; MOLECULAR DYNAMICS; QUANTUM THEORY; SPECTROSCOPY; STATIC ELECTRICITY; STEREOISOMERISM; VIBRATION;

CARBON; HYDROGEN; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; NITROBENZENES; QUANTUM THEORY; SPECTRUM ANALYSIS; STATIC ELECTRICITY; STEREOISOMERISM; VIBRATION;

EID: 80052936671     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.06.005     Document Type: Article

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