共 50 条
- [42] Flexible boundary layer using exchange for embedding theories. II. QM/MM dynamics of the hydrated electron JOURNAL OF CHEMICAL PHYSICS, 2021, 155 (22):
- [43] Periodic boundary conditions for QM/MM calculations: Ewald summation for extended Gaussian basis sets (vol 139, 244108, 2013) JOURNAL OF CHEMICAL PHYSICS, 2015, 142 (05):
- [44] Efficiency of QM/MM optimization and fragment molecular orbital calculations for investigating interactions between zinc metalloprotease and its inhibitors JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2025, 137
- [45] Atomic and Electronic Structure of Pilus from Geobacter sulfurreducens through QM/MM Calculations: Evidence for Hole Transfer in Aromatic Residues JOURNAL OF PHYSICAL CHEMISTRY B, 2021, 125 (30): : 8305 - 8312
- [46] QM/MM calculations of proton transfer reactions and excited states properties in biological systems using semi-empirical methods ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 232 : 124 - 124
- [49] Dynamics of Excited States for Fluorescent Emitters with Hybridized Local and Charge-Transfer Excited State in Solid Phase: A QM/MM Study JOURNAL OF PHYSICAL CHEMISTRY A, 2016, 120 (47): : 9422 - 9430
- [50] PHYS 546-Hydration effects on charge spatial extent in DNA and implications for transfer: A theoretical SIC-QM/MM study ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2007, 234