Effective electronic Hamiltonian for quantum subsystem in hybrid QM/MM methods as derived from APSLG description of electronic structure of classical part of molecular system
| Autor: | Tokmachev, A.M. *, Tchougréeff, A.L., Misurkin, I.A. |
|---|---|
| Zdroj: | In Journal of Molecular Structure: THEOCHEM 14 July 2000 506(1-3):17-34 |
| Databáze: | ScienceDirect |
| Externí odkaz: |
|
Full Text from ScienceDirect