A novel computational method for comparing vibrational circular dichroism spectra

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 76, Issue 3-4, 2010, Pages 418-422

  Shen, Jian ^a   Zhu, Chengyue ^a   Reiling, Stephan ^a   Vaz, Roy ^a  

^a SANOFI   (France)

Author keywords

Pinene; Chirality; DFT; IR; Spectrum similarity; Vibrational circular dichroism

Indexed keywords

BASIS SETS; CONFIDENCE MEASURE; DFT; DFT METHOD; FREQUENCY-SCALING; HUMAN ERRORS; IR SPECTRUM; MOLECULAR CHIRALITY; NOVEL METHODS; VIBRATIONAL CIRCULAR DICHROISM; VIBRATIONAL CIRCULAR DICHROISM SPECTRUM;

CHIRALITY; ENANTIOMERS; SENSITIVITY ANALYSIS; STEREOCHEMISTRY;

DICHROISM;

ALPHA-PINENE; PINENE; TERPENE;

ARTICLE; CHEMISTRY; CIRCULAR DICHROISM; COMPARATIVE STUDY; ECONOMICS; METHODOLOGY; QUANTUM THEORY; STEREOISOMERISM;

CIRCULAR DICHROISM; MONOTERPENES; QUANTUM THEORY; STEREOISOMERISM;

EID: 77953286368     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2010.04.014     Document Type: Article

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