Concepedia

A theoretical study of trivalent lanthanide ion microsolvation in water clusters from first principles

Sean R. Hughes, Tao-Nhân V. Nguyen, John A. Capobianco, Gilles H. Peslherbe

International Journal of Mass Spectrometry · 2005 · 22 citations · 55 references

DOI

Concepts

References

55

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

, , +13

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Samuel Francis Boys, Fernando Bernardi · Molecular Physics · 1970 · 22K citations

, , +10

<i>Numerical Recipes, The Art of Scientific Computing</i>

William H. Press, Brian P. Flannery, Saul A. Teukolsky et al. · American Journal of Physics · 1987 · 10.1K citations

, , +10

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 · 8.5K citations

, , +14

Ab initio molecular orbital theory

Warren J. Hehre · Accounts of Chemical Research · 1976 · 7.9K citations

, , +5