Calculation of wave-functions with frozen orbitals in mixed quantum mechanics/molecular mechanics methods. Part I. Application of the Huzinaga equation

von Ferenczy, György G
Veröffentlicht in: Journal of computational chemistry (2013)

Calculation of wave-functions with frozen orbitals in mixed quantum mechanics/molecular mechanics methods. II. Application of the local basis equation

von Ferenczy, György G
Veröffentlicht in: Journal of computational chemistry (2013)

Towards improved force fields III. Polarization through modified atomic charges

von Winn, Peter J
Veröffentlicht in: Journal of computational chemistry (1999)