Keywords
SolvationDensity functional theoryFragment molecular orbitalAb initioMolecular orbitalDielectricChemistryIonImplicit solvationComputational chemistryHomogeneousSolvent effectsPolarMolecular orbital theoryMolecular physicsThermodynamicsChemical physicsSolventMoleculePhysicsQuantum mechanics
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Publication Info
- Year
- 1995
- Type
- article
- Volume
- 240
- Issue
- 4
- Pages
- 253-260
- Citations
- 310
- Access
- Closed
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Cite This
Thanh N. Truong,
Eugene V. Stefanovich
(1995).
A new method for incorporating solvent effect into the classical, ab initio molecular orbital and density functional theory frameworks for arbitrary shape cavity.
Chemical Physics Letters
, 240
(4)
, 253-260.
https://doi.org/10.1016/0009-2614(95)00541-b
Identifiers
- DOI
- 10.1016/0009-2614(95)00541-b