Concepedia

Decomposition of the interaction energy between metal cations and water or ammonia with inclusion of counterpoise corrections to the interaction energy terms

Roberto Cammi, H.‐J. Hofmann, Jacopo Tomasi

Theoretical Chemistry Accounts · 1989 · 29 citations · 31 references

DOI

Concepts

References

31

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

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A new energy decomposition scheme for molecular interactions within the Hartree‐Fock approximation

Kazuo Kitaura, Keiji Morokuma · International Journal of Quantum Chemistry · 1976 · 2.1K citations

, , +12

A systematic preparation of new contracted Gaussian‐type orbital sets. III. Second‐row atoms from Li through ne

Hiroshi Tatewaki, Sigeru Huzinaga · Journal of Computational Chemistry · 1980 · 465 citations

, , +10

On bond orders and valences in the <i>Ab initio</i> quantum chemical theory

I. Mayer · International Journal of Quantum Chemistry · 1986 · 393 citations

, , +14

SCF-CI studies of correlation effects on hydrogen bonding and ion hydration

Geerd H. F. Diercksen, W.P. Kraemer, Bj�rn O. Roos · Theoretical Chemistry Accounts · 1975 · 313 citations

, , +17