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Semiempirical Use of Chirality Functions for the Description of the Optical Activity of Methane Derivatives in the Transparent Region

✍ Scribed by Dipl.-Chem. Wolf Jürgen Richter; Dipl.-Chem. Bernd Richter; Prof. Dr. Ernst Ruch


Publisher
John Wiley and Sons
Year
1973
Tongue
English
Weight
629 KB
Volume
12
Category
Article
ISSN
0044-8249

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📜 SIMILAR VOLUMES


On the use of a model function of Coulom
✍ M.J. Filatov; I.L. Zilberberg; G.M. Zhidomirov 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 273 KB

In order to evaluate the Coulomb and exchange integrals in the semiempirical SCF MO methods over an spd-basis of orbitals, an approximation of the model function of the Coulomb hole is used. The procedure of calculating mono-and bicentric Coulomb integrals based on the properties of Fourier transfor