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Principle of electronegativity equalization and analysis of intramolecular interaction energies

✍ Scribed by V. V. Zverev

Book ID
104920361
Publisher
SP MAIK Nauka/Interperiodica
Year
1972
Tongue
English
Weight
231 KB
Volume
13
Category
Article
ISSN
0022-4766

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πŸ“œ SIMILAR VOLUMES

Conformational analysis of phosphatides:
Conformational analysis of phosphatides: Mapping and minimization of the intramolecular energy
✍ Garret Vanderkooi πŸ“‚ Article πŸ“… 1973 πŸ› Elsevier Science 🌐 English βš– 958 KB

Empirical intramolecular energy calculations were carried out on molecular fragments related to phosphatides in order to find the preferred conformations. The energy was mapped as a function of several pairs of torsional angles in progressively larger molecular fragments, with energy minimization be

A computational analysis of interaction
A computational analysis of interaction energies in methane and neopentane dimer systems
✍ Metzger, Thomas G.; Ferguson, David M.; Glauser, William A. πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 293 KB

The gas-phase interaction energies of methane and neopentane dimers are calculated at various intermolecular distances and geometries using several molecular mechanics and semiempirical parameter sets. For comparisons, a set Ž . of reference calculations are also performed using the 6᎐311G 2 d, 2 p