Title of article :
Unique determination of the cavity radius in Onsager reaction field theory
Author/Authors :
Luo، نويسنده , , Yi and إgren، نويسنده , , Hans and Mikkelsen، نويسنده , , Kurt V.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1997
Pages :
6
From page :
145
To page :
150
Abstract :
A method based on the combined use of classical Maxwell field theory and modern quantum chemistry reaction field theory is outlined for determining the spherical cavity radius of pure liquids in the Onsager reaction field model. For each electronic structure model the method provides a unique value for the radius of the spherical cavity.
Journal title :
Chemical Physics Letters
Serial Year :
1997
Journal title :
Chemical Physics Letters
Record number :
1781789
Link To Document :
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