Concepedia

Theoretical studies of molecular conformation. Derivation of an additive procedure for the computation of intramolecular interaction energies. Comparison withab initio SCF computations

Nohad Gresh, P. Claverie, Alberte Pullman

Theoretical Chemistry Accounts · 1984 · 138 citations · 26 references

DOI

Concepts

References

26

Atomic Screening Constants from SCF Functions

E. Clementi, D. L. Raimondi · The Journal of Chemical Physics · 1963 · 2.4K citations

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<i>Ab initio</i>effective potentials for use in molecular quantum mechanics

Carl F. Melius, William A. Goddard · Physical review. A, General physics · 1974 · 183 citations

, , +15

Theoretical evaluations of the intermolecular interaction energy of a crystal: application to the analysis of crystal geometry

J. Caillet, P. Claverie · Acta Crystallographica Section A · 1975 · 151 citations

, , +17

An X-ray study of the interaction of DNA with spermine

Mario Suwalsky, W. Traub, U. Shmueli et al. · Journal of Molecular Biology · 1969 · 136 citations

, , +3

Molecular Orbital Calculation of Preferred Conformations of Acetylcholine, Muscarine, and Muscarone

Lemont B. Kier · Molecular Pharmacology · 1967 · 125 citations

, , +17