A semiempirical quantum polarization model for water
β Scribed by Daniel Borgis; Arnulf Staib
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 496 KB
- Volume
- 238
- Category
- Article
- ISSN
- 0009-2614
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π SIMILAR VOLUMES
Molecular orbitals of the chlorophyll-water system and its dimer have been calculated by the CNDO method. The CNDO/S excitation energies have been computed. Excitonic characteristics of a model crystal of chlorophyll-water molecules have been calculated. The dimensions of the model crystal are same
Title of program: NUCFRAG Nature of physical problem Interactive program NUCFRAG, presents an algorithm for an Catalogue number: ABBG abrasion/ablation model of heavy ion fragmentation which includes a second order correction for the surface energy term Program obtainable from: CPC Program Library,