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Computation of surface energies in an electrostatic point charge model: I. Theory

โœ Scribed by C. F. Woensdregt


Book ID
104664288
Publisher
Springer-Verlag
Year
1992
Tongue
English
Weight
559 KB
Volume
19
Category
Article
ISSN
0342-1791

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Potential derived (PD) point charges and segmental multipole moments are calculated for water, uracil, thymine, and cytosine using STO-3G quality wave functions. The PD point charges are used to estimate the electrostatic interaction energies for a series of complexes of water with these nucleic aci