Ferenczy, György G

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