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What Controls Partitioning of the Nucleic Acid Bases between Chloroform and Water?

✍ Scribed by Giesen, David J.; Chambers, Candee C.; Cramer, Christopher J.; Truhlar, Donald G.


Book ID
124161878
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
188 KB
Volume
101
Category
Article
ISSN
0022-3654

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## Abstract We have developed a methodology to derive RESP charges for molecular mechanical models that include β€œlone pairs” on lone‐pair donor sites and atom‐centered polarizabilities. This approach uses a very high level __ab initio__ cc‐pVTZ basis set,1 where the multipole moments of the molecul