๐”– Bobbio Scriptorium
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Description of intermolecular interaction by combining quantum-chemical and atom-atom calculations

โœ Scribed by M. V. Bazilevskii; S. N. Elovskii; V. A. Tikhomirov


Book ID
112358334
Publisher
Springer
Year
1978
Tongue
English
Weight
430 KB
Volume
14
Category
Article
ISSN
0040-5760

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๐Ÿ“œ SIMILAR VOLUMES


Quantum-Chemical and semiclassical calcu
โœ H. Frischleder; R. Lochmann ๐Ÿ“‚ Article ๐Ÿ“… 1979 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 441 KB

## Abstract By use of empirical 0โ€“1โ€“6โ€“12 atomโ€“atom potential functions and the PCILOCC method intraโ€ and intermolecular interactions of glyceroโ€“phosphorylโ€“ethanolamine model head groups in a planar layer crystal were calculated. Starting from investigations of the twoโ€dimensional energyโ€contour dia

Simulation of intermolecular and intramo
โœ V. I. Poltev ๐Ÿ“‚ Article ๐Ÿ“… 1979 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 342 KB

## Abstract Atomโ€“atom potential functions for calculation of nonbonded interaction energies of nucleic acids are proposed. Quantitative reliability of the obtained results is checked by using the calculations of intermolecular interaction energy in crystals. Based on the calculations of the interac