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The Electrostatic Calculation of Molecular Energies. IV. Optimum Paired-Electron Orbitals and the Electrostatic Method

✍ Scribed by A. C. Hurley

Book ID
123675647
Publisher
The Royal Society
Year
1956
Tongue
English
Weight
433 KB
Volume
235
Category
Article
ISSN
0962-8444

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πŸ“œ SIMILAR VOLUMES

Incorporation of lone pairs into the ele
Incorporation of lone pairs into the electrostatic term in the empirical intra- and intermolecular energy calculations
✍ Igor TvaroΕ‘ka; TomΓ‘Ε‘ Bleha πŸ“‚ Article πŸ“… 1979 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 689 KB

## Abstract The method hitherto used for estimating the electrostatic term in empirical intramolecular calculations of stable conformations of biologically important molecules and macromolecules and intermolecular calculations of molecular associations or packing energy in molecular crystals had be