Calculation of wave-functions with frozen orbitals in mixed quantum mechanics/molecular mechanics methods. II. Application of the local basis equation. [electronic resource]
- Journal of computational chemistry Apr 2013
- 862-9 p. digital
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
1096-987X
10.1002/jcc.23209 doi
Models, Molecular Molecular Structure Pentanoic Acids--chemistry Quantum Theory