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Atomic Charges in the Quadrupole Solvation Energy Calculations

✍ Scribed by Ljiljana Dos̆en-Mićović

Publisher
John Wiley and Sons
Year
1986
Tongue
English
Weight
370 KB
Volume
7
Category
Article
ISSN
0192-8651

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✦ Synopsis

A procedure is described and tested for the use of atomic charges instead of bond dipole moments in the calculations, based on the reaction field theory, of quadrupole term of the solvation energy.

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