FTIR and FT Raman, molecular geometry, vibrational assignments, ab initio and density functional theory calculations for 1,5-methylnaphthalene

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 77, Issue 5, 2010, Pages 1099-1107

  Nagabalasubramanian, P B ^a   Periandy, S ^b  

^a Arignar Anna Government Arts and Science College   (India)

^b Tagore Arts College   (India)

Author keywords

1,5 methylnaphthalene; Ab initio; B3LYP; FT Raman; FTIR; HF

Indexed keywords

AB INITIO; B3LYP; FT-RAMAN; FTIR; HF; METHYLNAPHTHALENE;

MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; RAMAN SCATTERING; RAMAN SPECTROSCOPY; SPECTRUM ANALYSIS; SPECTRUM ANALYZERS;

DENSITY FUNCTIONAL THEORY;

CARBON; DRUG DERIVATIVE; METHANE; METHYL RADICAL; NAPHTHALENE DERIVATIVE; PHENOL;

ARTICLE; BIOLOGY; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; HYDROGEN BOND; INFRARED SPECTROSCOPY; METHODOLOGY; RAMAN SPECTROMETRY; THEORETICAL MODEL; VIBRATION;

CARBON; COMPUTATIONAL BIOLOGY; HYDROGEN BONDING; METHANE; MODELS, CHEMICAL; MODELS, MOLECULAR; MODELS, THEORETICAL; MOLECULAR CONFORMATION; NAPHTHALENES; PHENOL; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 78049527085     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2010.09.002     Document Type: Article

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