Concepedia

An MNDO-effective charge model study of the solvent effect: The internal rotation about partial double bonds and the nitrogen inversion in amine

Teruya Kozaki, Kenji Morihashi, Osamu Kikuchi

Journal of Molecular Structure THEOCHEM · 1988 · 33 citations · 32 references

DOI

Concepts

References

32

Ground states of molecules. 38. The MNDO method. Approximations and parameters

Michael J. S. Dewar, Walter Thiel · Journal of the American Chemical Society · 1977 · 5.1K citations

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Ground states of molecules. 39. MNDO results for molecules containing hydrogen, carbon, nitrogen, and oxygen

Michael J. S. Dewar, Walter Thiel · Journal of the American Chemical Society · 1977 · 1.3K citations

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Some remarks on the Pariser-Parr-Pople method

Kimio Ohno · Theoretical Chemistry Accounts · 1964 · 1K citations

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A Semiempirical Treatment of molecular Structures. II. Molecular Terms and Application to diatomic Molecules

Gilles Klopman · Journal of the American Chemical Society · 1964 · 351 citations

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Reduction potentials of various aromatic hydrocarbons and their univalent anions

G. J. Hoijtink, E. de Boer, P. H. van der Meij et al. · Recueil des Travaux Chimiques des Pays-Bas · 1956 · 205 citations

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