The 'partial resonance' of the ring in the NLO crystal melaminium formate: Study using vibrational spectra, DFT, HOMO-LUMO and MESP mapping

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 104, Issue , 2013, Pages 97-109

  Binoy, J ^a   Marchewka, M K ^b   Jayakumar, V S ^c  

^a Government College   (India)

^b INSTITUTE OF LOW TEMPERATURE AND STRUCTURE RESEARCH   (Poland)

^c NM Christian College   (India)

Author keywords

DFT; FT IR and FT Raman spectra; HOMO; LUMO; MESP

Indexed keywords

DFT; FTIR AND FT-RAMAN SPECTRA; HOMO; LUMO; MESP;

CARBON DIOXIDE; CRYSTAL STRUCTURE; HYDROGEN; IONS;

RESONANCE;

FORMIC ACID DERIVATIVE; MELAMINIUM FORMATE; PROTON; TRIAZINE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; CRYSTALLIZATION; INFRARED SPECTROSCOPY; NONLINEAR SYSTEM; QUANTUM THEORY; RAMAN SPECTROMETRY; STATIC ELECTRICITY; THERMODYNAMICS; VIBRATION; X RAY DIFFRACTION;

CRYSTALLIZATION; FORMATES; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NONLINEAR DYNAMICS; PROTONS; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; STATIC ELECTRICITY; THERMODYNAMICS; TRIAZINES; VIBRATION; X-RAY DIFFRACTION;

EID: 84871391708     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2012.11.046     Document Type: Article

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