A multicore QM/MM approach for the geometry optimization of chromophore aggregate in protein

von Kiyota, Yasuomi
Veröffentlicht in: Journal of computational chemistry (2009)

Excited states of GFP chromophore and active site studied by the SAC-CI method effect of protein-environment and mutations

von Hasegawa, Jun-Ya
Veröffentlicht in: Journal of computational chemistry (2007)

Solids modeled by ab initio crystal field methods, part 22 the Fock matrix transformed supermolecule model and the structure determination of D-erythronic acid-3,4-carbonate

von van Droogenbroeck, Joris
Veröffentlicht in: Journal of computational chemistry (2004)