SCOPUS 정보 검색 플랫폼

Journal of Computer-Aided Molecular Design

Volumn 28, Issue 3, 2014, Pages 151-168

SAMPL4, a blind challenge for computational solvation free energies: The compounds considered

(1) Guthrie, J Peter a

a UNIVERSITY OF WESTERN ONTARIO (Canada)

Author keywords

Henry's Law Constant; Solubility; Solvation energies; Vapor pressure

Indexed keywords

EXTRAPOLATION; HYDROGEN BONDS; HYDROSTATIC PRESSURE; SOLVATION; SUBLIMATION;

BENZENE DERIVATIVES; CURRENT VALUES; EXPERIMENTAL VALUES; HENRY'S LAW CONSTANT; LOWS-TEMPERATURES; POINT DATA; SOLVATION ENERGY; SOLVATION FREE ENERGIES; SUBCOOLED LIQUID; VAPOUR PRESSURES;

VAPOR PRESSURE;

BENZENE DERIVATIVE; GUAIACOL; MANNITOL; MENTHOL; WATER;

ARTICLE; CHLORINATION; CONTROLLED STUDY; DOCUMENTATION; ENERGY; HUMAN; HYDROGEN BOND; MEASUREMENT; PRIORITY JOURNAL; ROOM TEMPERATURE; SOLVATION; SYSTEMATIC ERROR; VAPOR PRESSURE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; SOLUBILITY; THERMODYNAMICS;

COMPUTER SIMULATION; HYDROGEN BONDING; MODELS, CHEMICAL; SOLUBILITY; THERMODYNAMICS; VAPOR PRESSURE; WATER;

EID: 84899935825 PISSN: 0920654X EISSN: 15734951 Source Type: Journal
DOI: 10.1007/s10822-014-9738-y Document Type: Article

Times cited : (48)

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