共 50 条
- [2] Implementing Quantum Mechanics into Molecular Mechanics-Combined QM/MM Modeling Methods ADVANCES IN QUANTUM CHEMISTRY, VOL 59: COMBINING QUANTUM MECHANICS AND MOLECULAR MECHANICS - SOME RECENT PROGRESSES IN QM/MM METHODS, 2010, 59 : 1 - 15
- [3] Molecular dynamics by flexible-boundary QM/MM: On-the-fly partial charge transfer between QM and MM subsystems ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015, 249
- [6] Combined QM/MM and Ab initio molecular dynamics modeling of homogeneous catalysis ACS Symp Ser, (173-186):
- [7] Flexible-boundary QM/MM calculations: Partial charge transfer and mutual polarization between the QM and MM subsystems ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2011, 241