A complete characterization of the vibrational spectra of sucrose

Carbohydrate Research

Volumn 361, Issue , 2012, Pages 212-218

  Brizuela, Alicia Beatriz ^a   Bichara, Laura Cecilia ^a   Romano, Elida ^a   Yurquina, Alisia ^a   Locatelli, Silvano ^b   Brandán, Silvia Antonia ^a  

^a UNIVERSIDAD NACIONAL DE TUCUMÁN   (Argentina)

^b UNIVERSIDAD NACIONAL DE SALTA   (Argentina)

Author keywords

DFT calculations; Force field; Molecular structure; Sucrose; Vibrational spectra

Indexed keywords

AB INITIO CALCULATIONS; ATOMS IN MOLECULES THEORY; BOND ORDERS; C-O STRETCHING; DENSITY FUNCTIONAL THEORIES (DFT); DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT CALCULATION; FORCE FIELDS; INFRARED AND RAMAN SPECTRA; INFRARED SPECTRUM; NATURAL BOND ORBITAL; NORMAL VIBRATION MODES; SCALED QUANTUM MECHANICS; SOLID-PHASE; STRETCHING MODES; TOPOLOGICAL PROPERTIES; VIBRATIONAL PROPERTIES;

CHARGE TRANSFER; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; FOURIER TRANSFORM INFRARED SPECTROSCOPY; MOLECULAR STRUCTURE; QUANTUM THEORY; TOPOLOGY; VIBRATIONAL SPECTRA;

SUGAR (SUCROSE);

SUCROSE;

AB INITIO CALCULATION; ARTICLE; CARBOHYDRATE ANALYSIS; CHEMICAL STRUCTURE; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; HYDROGEN BOND; INFRARED SPECTROSCOPY; PRIORITY JOURNAL; QUANTUM MECHANICS; RAMAN SPECTROMETRY; X RAY DIFFRACTION;

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

EID: 84868567654     PISSN: 00086215     EISSN: 1873426X     Source Type: Journal    
DOI: 10.1016/j.carres.2012.07.009     Document Type: Article

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