Title of article :
Which density functional should be used to model hydration?
Author/Authors :
Hall، نويسنده , , Richard J. and Hillier، نويسنده , , Ian H. and Vincent، نويسنده , , Mark A.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2000
Pages :
5
From page :
139
To page :
143
Abstract :
The ability of a range of density functionals, which do not include Hartree–Fock exchange, to describe aqueous solvation energetics has been tested. No good universal functional has been identified.
Journal title :
Chemical Physics Letters
Serial Year :
2000
Journal title :
Chemical Physics Letters
Record number :
1781889
Link To Document :
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