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Generalized conductor‐like screening model (GCOSMO) for solvation: An assessment of its accuracy and applicability
Author(s) -
Truong Thanh N.,
Nguyen Uyen N.,
Stefanovich Eugene V.
Publication year - 1996
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1996)60:7<1615::aid-qua43>3.0.co;2-y
Subject(s) - solvation , conductor , dielectric , tautomer , implicit solvation , chemistry , computational chemistry , thermodynamics , statistical physics , materials science , physics , molecule , quantum mechanics , organic chemistry , composite material
We present an assessment on the accuracy of a dielectric continuum solvation model, the generalized conductor‐like screening model (GCOSMO), for predicting hydration free energies, tautomeric equilibria, and reaction profiles in solution. © 1996 John Wiley & Sons, Inc.