Description of intermolecular interaction by combining quantum-chemical and atom-atom calculations
โ 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
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
## Abstract By use of empirical 0โ1โ6โ12 atomโatom potential functions and the PCILOCC method intraโ and intermolecular interactions of glyceroโphosphorylโethanolamine model head groups in a planar layer crystal were calculated. Starting from investigations of the twoโdimensional energyโcontour dia
## Abstract Atomโatom 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