Concepedia

Ab initio, semi-empirical, and classical calculations of simple hydrated ions

K. G. Breitschwerdt, H. Kistenmacher

Chemical Physics Letters · 1972 · 40 citations · 13 references

DOI

Concepts

References

13

A Theory of Water and Ionic Solution, with Particular Reference to Hydrogen and Hydroxyl Ions

J. D. Bernal, Ralph Howard Fowler · The Journal of Chemical Physics · 1933 · 3.2K citations

, , +17

An Automatic Method for Finding the Greatest or Least Value of a Function

H.H. Rosenbrock · The Computer Journal · 1960 · 2.9K citations

, , +5

Approximate Self-Consistent Molecular Orbital Theory. III. CNDO Results for AB2 and AB3 Systems

John A. Pople, Gerald A. Segal · The Journal of Chemical Physics · 1966 · 1.9K citations

, , +15

Ion-solvent interaction. Structural aspects of ion-solvent interaction in aqueous solutions: a suggested picture of water structure

Henry S. Frank, Wen-Yang Wen · Discussions of the Faraday Society · 1957 · 1.8K citations

, , +15

Approximate Self-Consistent Molecular-Orbital Theory. V. Intermediate Neglect of Differential Overlap

John A. Pople, D. L. Beveridge, Paul A. Dobosh · The Journal of Chemical Physics · 1967 · 1.5K citations

, , +13