## Abstract Evaluation of the electrostatic energy within the effective fragment potential (EFP) method is presented. The performance of two variants of the distributed multipole analysis (DMA) together with two different models for estimating the charge penetration energies was studied using six h
Force in SCF theories. combination with the effective-core potential method
β Scribed by H. Nakatsuji; M. Hada; T. Yonezawa
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 461 KB
- Volume
- 95
- Category
- Article
- ISSN
- 0009-2614
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