Use of solution-phase vibrational frequencies in continuum models for the free energy of solvation

Journal of Physical Chemistry B

Volumn 115, Issue 49, 2011, Pages 14556-14562

  Ribeiro, Raphael F ^a   Marenich, Aleksandr V ^a   Cramer, Christopher J ^a   Truhlar, Donald G ^a  

^a University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON TETRACHLORIDE; CONTINUUM MECHANICS; FREE ENERGY; HOLMIUM; LIQUIDS; SOLVATION; VIBRATIONS (MECHANICAL);

CONTINUUM APPROXIMATION; CONTINUUM MODEL; CONTINUUM SOLVATION MODELS; ENERGY OF SOLVATION; GAS-PHASE GEOMETRY; GASPHASE; LIQUID SOLUTION; LOW FREQUENCY; MOLECULES AND IONS; PARTITION FUNCTIONS; QUANTUM MECHANICAL; SOLUTE STRUCTURES; SOLVATION FREE ENERGIES; STATIONARY POINTS; TRAINING SETS; VIBRATIONAL CONTRIBUTIONS;

GASES;

EID: 83455219492     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp205508z     Document Type: Article

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