Concepedia

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

Seiichiro Ten‐no, Fumio Hirata, Shigekí Kato

Chemical Physics Letters · 1993 · 238 citations · 13 references

DOI

Concepts

References

13

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 · 1971 · 10.5K citations

, , +15

Semianalytical treatment of solvation for molecular mechanics and dynamics

W. Clark Still, Anna Tempczyk, Ronald C. Hawley et al. · Journal of the American Chemical Society · 1990 · 3.7K citations

, , +16

An all atom force field for simulations of proteins and nucleic acids

Scott J. Weiner, Peter A. Kollman, Dzung T. Nguyen et al. · Journal of Computational Chemistry · 1986 · 3.4K citations

, , +17

Optimized Cluster Expansions for Classical Fluids. II. Theory of Molecular Liquids

David Chandler, Hans Christian Andersen · The Journal of Chemical Physics · 1972 · 1.4K citations

, , +17

An extended rism equation for molecular polar fluids

Fumio Hirata, Peter J. Rossky · Chemical Physics Letters · 1981 · 575 citations

, , +8