We present a new implementation of the polarizable continuum ลฝ . model PCM that significantly improves its performance, especially for large solutes. This approach avoids the separation between electronic and nuclear sources in the calculation of the solvation charges, allowing the extension of w ลฝ
โฆ LIBER โฆ
A conformational analysis of polyunsaturated molecules in solution. Continuum model
โ Scribed by V.G. Dashevskii; A.L. Rabinovich
- Book ID
- 118967813
- Publisher
- Elsevier Science
- Year
- 1983
- Weight
- 609 KB
- Volume
- 25
- Category
- Article
- ISSN
- 0032-3950
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