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Modeling of self consistent field due to volume charge using charge simulation method and method of characteristics line

✍ Scribed by Chowdhury, S.S.; Lahiri, A.; Chakravorti, S.

Book ID
118047706
Publisher
IEEE
Year
2012
Tongue
English
Weight
371 KB
Volume
19
Category
Article
ISSN
1070-9878

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## Abstract We present a model to calculate the free energies of solvation of small organic compounds as well as large biomolecules. This model is based on a generalized Born (GB) model and a self‐consistent charge‐density functional theory‐based tight‐binding (SCC‐DFTB) method with the nonelectros