Concepedia

Ab initio calculations on first-row transition metal porphyrins. Part 1. Geometrical details, charge distributions and the effects of additional charge

R. Zwaans, Joop H. van Lenthe, D.H.W. den Boer

Journal of Molecular Structure THEOCHEM · 1995 · 28 citations · 23 references

DOI

Concepts

References

23

Handbook of chemistry and physics

Journal of the Franklin Institute · 1930 · 11.7K citations

, , +4

Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets

Michael J. Frisch, John A. Pople, J. Stephen Binkley · The Journal of Chemical Physics · 1984 · 8.4K citations

, , +13

Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals

Warren J. Hehre, R. F. Stewart, John A. Pople · The Journal of Chemical Physics · 1969 · 4.2K citations

, , +18

Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements

J. Stephen Binkley, John A. Pople, Warren J. Hehre · Journal of the American Chemical Society · 1980 · 3.8K citations

, , +16

Distributed multipole analysis, or how to describe a molecular charge distribution

Anthony J. Stone · Chemical Physics Letters · 1981 · 1.1K citations

, , +3