Energetics and vibrational analysis of methyl salicylate isomers

Journal of Physical Chemistry A

Volumn 113, Issue 38, 2009, Pages 10385-10390

  Massaro, Richard D ^a   Dai, Yafei ^a   Blaisten Barojas, Estela ^a  

^a GEORGE MASON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; CHEMICAL EQUILIBRIUMS; INTERNAL HYDROGEN BONDS; IONIZATION REACTIONS; LOWEST-ENERGY ISOMERS; METHYL SALICYLATE; NORMAL CONDITION; ROTAMERS; SINGLET GROUND STATE; SOLVENT EFFECTS; VAPOR PHASE; VIBRATIONAL ANALYSIS;

DENSITY FUNCTIONAL THEORY; HYDROGEN; HYDROGEN BONDS;

ISOMERS;

SALICYLIC ACID DERIVATIVE; SALICYLIC ACID METHYL ESTER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; INFRARED SPECTROPHOTOMETRY; ISOMERISM; THERMODYNAMICS; VIBRATION;

COMPUTER SIMULATION; ISOMERISM; MODELS, CHEMICAL; SALICYLATES; SPECTROPHOTOMETRY, INFRARED; THERMODYNAMICS; VIBRATION;

EID: 70349255630     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp905887m     Document Type: Article

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