An accurate and efficient procedure of fitting electric field potential by point charges for QM/MM calculations.
Autor: | Makhov, D. V., Stuchebrukhov, Alexei A. |
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Zdroj: | Physica Status Solidi (B); Jul2006, Vol. 243 Issue 9, p2030-2037, 8p |
Databáze: | Complementary Index |
Externí odkaz: |