Density functional theory calculation and vibrational spectroscopy study of 2-amino-4,6-dimethyl pyrimidine (ADMP)

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 79, Issue 3, 2011, Pages 389-395

  Thilagavathi, G ^a   Arivazhagan, M ^b  

^a NEHRU MEMORIAL COLLEGE   (India)

^b AA Govt Arts College   (India)

Author keywords

2 Amino 4,6 dimethyl pyrimidine; DFT; FT Raman; FTIR; Vibrational spectra

Indexed keywords

2-AMINO-4,6-DIMETHYL PYRIMIDINE; B3LYP METHOD; BASIS SETS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT; EXPERIMENTAL DATA; FT-RAMAN; FTIR; FTIR AND FT-RAMAN SPECTRA; GEOMETRICAL PARAMETERS; HARMONIC FREQUENCY; INFRARED AND RAMAN SPECTRA; NORMAL COORDINATE ANALYSIS; OPTIMIZED STRUCTURES; SOLID-PHASE; VIBRATIONAL ASSIGNMENT;

AROMATIC POLYMERS; OPTIMIZATION; RAMAN SCATTERING; RAMAN SPECTROSCOPY;

DENSITY FUNCTIONAL THEORY;

2 AMINO 4,6 DIMETHYL PYRIMIDINE; 2-AMINO-4,6-DIMETHYL PYRIMIDINE; PYRIMIDINE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; INFRARED SPECTROSCOPY; QUANTUM THEORY; RAMAN SPECTROMETRY;

MODELS, MOLECULAR; PYRIMIDINES; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN;

EID: 79956289706     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.01.052     Document Type: Article

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