A quantum mechanical strategy to investigate the structure of liquids: The cases of acetonitrile, formamide, and their mixture

Journal of Physical Chemistry B

Volumn 112, Issue 22, 2008, Pages 6803-6813

  Mennucci, Benedetta ^a   Da Silva, Clarissa O ^b  

^a UNIVERSITY OF PISA   (Italy)

^b FEDERAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

ACETONITRILE; AMIDES; MIXTURES;

COMPUTATIONAL STRATEGIES; CONTINUUM SOLVATION MODELS; EQUIMOLAR MIXTURES; FORM AMIDES; INTERACTING MOLECULES; LIQUID STRUCTURES; MICRO-ENVIRONMENTS; QUANTUM-MECHANICAL; RAMAN INTENSITIES; SOLVATED CLUSTERS; SPECTROSCOPIC PROPERTIES; STRUCTURE OF LIQUIDS; VIBRATIONAL FREQUENCIES;

LIQUIDS;

ACETONITRILE; ACETONITRILE DERIVATIVE; FORMAMIDE; FORMAMIDE DERIVATIVE; SOLVENT;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; QUANTUM THEORY; VIBRATION;

ACETONITRILES; COMPUTER SIMULATION; FORMAMIDES; MODELS, CHEMICAL; QUANTUM THEORY; SOLVENTS; VIBRATION;

EID: 46749120630     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp8009657     Document Type: Article

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