A hybrid approach for the solvent effect on the electronic structure of a solute based on the RISM and Hartree-Fock equations

References

Page 1

	Year	Citations
Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules R. Ditchfield, Warren J. Hehre, John A. Pople The Journal of Chemical Physics Extended Basis SetEngineeringTheoretical Inorganic ChemistrySelf-consistent Molecular-orbital MethodsGaussian Function	1971	10.4K
Semianalytical treatment of solvation for molecular mechanics and dynamics W. Clark Still, Anna Tempczyk, Ronald C. Hawley, Journal of the American Chemical Society EngineeringChemical AnalysisAltmetric Attention ScoreOrganic ChemistryChemistry	1990	3.6K
An all atom force field for simulations of proteins and nucleic acids Scott J. Weiner, Peter A. Kollman, Dzung T. Nguyen, Journal of Computational Chemistry Dimethyl EtherEngineeringAtom Force FieldMolecular BiologyComputational Chemistry	1986	3.4K
Optimized Cluster Expansions for Classical Fluids. II. Theory of Molecular Liquids David Chandler, Hans Christian Andersen The Journal of Chemical Physics Quantum LiquidEngineeringFluid MechanicsMolecular FluidsComputational Chemistry	1972	1.4K
An extended rism equation for molecular polar fluids Fumio Hirata, Peter J. Rossky Chemical Physics Letters PhysicsPotential TheoryExtended Rism EquationIntegrable SystemSimple Liquid	1981	567
General parameterized SCF model for free energies of solvation in aqueous solution Christopher J. Cramer, Donald G. Truhlar Journal of the American Chemical Society Scf ModelEngineeringAltmetric Attention ScoreBibliometricsOrganic Chemistry	1991	458
Dynamics of Solvation and Charge Transfer Reactions in Dipolar Liquids Biman Bagchi Annual Review of Physical Chemistry EngineeringMachine LearningMachine Learning ToolComputational ChemistryMolecular Simulations	1989	403
The interionic potential of mean force in a molecular polar solvent from an extended RISM equation Fumio Hirata, Peter J. Rossky, B. Montgomery Pettitt The Journal of Chemical Physics EngineeringMolecular Polar SolventComputational ChemistryChemistrySolution (Chemistry)	1983	271
<i>A priori</i>calculation of the optical absorption spectrum of the hydrated electron Jürgen Schnitker, Kazi A. Motakabbir, Peter J. Rossky, Physical Review Letters Localized Excited StateEngineeringAbsorption SpectroscopyComputational ChemistryChemistry	1988	190
Solvent effects on optical absorption spectra: the 1A1 .fwdarw. 1A2 transition of formaldehyde in water John T. Blair, Karsten Krogh‐Jespersen, Ronald M. Levy Journal of the American Chemical Society EngineeringAltmetric Attention ScoreAbsorption SpectroscopyChemistrySpectrochemical Analysis	1989	135

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