Calculation of the conformation of molecules of some liquid crystals
β Scribed by A. Ts. Sarkisyan; S. M. Yailoyan
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1990
- Tongue
- English
- Weight
- 237 KB
- Volume
- 30
- Category
- Article
- ISSN
- 0022-4766
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Formulas are given for convergence-accelerated lattice sums over all intermolecular Coulomb, London, and repulsive interactions. Their implementation in the consistent force field is described. Optimum values of convergence constant and summation limit are found for r-12, r-', and r-l interaction te
Molecular surface comparison seems to be a very suitable tool for the investigation of small differences between biologically active and inactive compounds of the same structural type. A fast method for such comparisons, based on volume matching followed by the estimation of comparable surface dots,