Concepedia

Solvations: a semi-empirical procedure for including solvation in quantum mechanical calculations of large molecules

Gilles Klopman

Chemical Physics Letters · 1967 · 199 citations · 9 references

DOI

Concepts

References

9

Approximate Self-Consistent Molecular Orbital Theory. I. Invariant Procedures

John A. Pople, D. P. Santry, Gerald A. Segal · The Journal of Chemical Physics · 1965 · 1.7K citations

, , +13

<b>Thermodynamics of Ion Hydration as a Measure of Effective Dielectric Properties of Water</b>

Richard M. Noyes · Journal of the American Chemical Society · 1962 · 454 citations

, , +11

A Semiempirical Treatment of molecular Structures. II. Molecular Terms and Application to diatomic Molecules

Gilles Klopman · Journal of the American Chemical Society · 1964 · 351 citations

, , +5

Molecular SCF Calculations on CH<sub>4</sub>, C<sub>2</sub>H<sub>2</sub>, C<sub>2</sub>H<sub>4</sub>, C<sub>2</sub>H<sub>6</sub>, BH<sub>3</sub>, B<sub>2</sub>H<sub>6</sub>, NH<sub>3</sub>, and HCN

William E. Palke, William N. Lipscomb · Journal of the American Chemical Society · 1966 · 250 citations

, , +7

The Solvation of Electrolytes in Dioxane-Water Mixtures, as Deduced from the Effect of Solvent Change on the Standard Partial Molar Free Energy<sup>1</sup>

Ernest Grunwald, George L. Baughman, G. Kohnstam · Journal of the American Chemical Society · 1960 · 239 citations

, , +14