Structural analysis, vibrational spectra and coordinated normal of 2R-(-)-6-hydroxytremetone

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 84, Issue 1, 2011, Pages 111-116

  Romano, Elida ^a   Raschi, Ana B ^a   Benavente, Alba ^a,b   Brandán, Silvia A ^a  

^a UNIVERSIDAD NACIONAL DE TUCUMÁN   (Argentina)

^b Universidad Nacional de Chilecito   (Argentina)

Author keywords

2R ( ) 6 hydroxytremetone; DFT calculations; Force field; Molecular structure; Vibrational spectra

Indexed keywords

2R-(-)-6-HYDROXYTREMETONE; BADER'S ATOMS; BASIS SETS; DENSITY FUNCTIONAL THEORY METHODS; DFT CALCULATION; ELECTRONIC CHARGE DENSITY; ELECTRONIC DELOCALIZATION; FORCE FIELDS; GASPHASE; HARMONIC VIBRATIONAL WAVENUMBERS; INFRARED AND RAMAN SPECTROSCOPY; INFRARED SPECTRUM; MOLECULES THEORY; NATURAL BOND ORBITAL; OPTIMIZED GEOMETRIES; SCALED QUANTUM MECHANICS; SOLID-PHASE; TOPOLOGICAL PROPERTIES; VIBRATIONAL PROPERTIES; WAVE NUMBERS;

CHEMICAL BONDS; QUANTUM THEORY; RAMAN SPECTROSCOPY; STRUCTURAL ANALYSIS; TOPOLOGY; VIBRATIONAL SPECTRA;

DENSITY FUNCTIONAL THEORY;

6 HYDROXYTREMETONE; 6-HYDROXYTREMETONE; BENZOPYRAN DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; CONFORMATION; RAMAN SPECTROMETRY; VIBRATION;

BENZOPYRANS; MODELS, CHEMICAL; MOLECULAR CONFORMATION; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 80054920625     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.09.011     Document Type: Article

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