共 50 条
- [1] Frontier bonds in QM/MM methods: A comparison of different approaches JOURNAL OF PHYSICAL CHEMISTRY A, 2000, 104 (08): : 1720 - 1735
- [2] Frontier bonds in QM/MM methods: A comparison of different approaches. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2001, 222 : U395 - U395
- [4] On the frontier bond location in the QM/MM description of peptides and proteins COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING VOL 1: THEORY AND COMPUTATION: OLD PROBLEMS AND NEW CHALLENGES, 2007, 963 : 308 - 315
- [5] Classical polarization in hybrid QM/MM methods JOURNAL OF PHYSICAL CHEMISTRY A, 2006, 110 (20): : 6487 - 6497
- [6] Computational methods for large molecules: New semiempirical and hybrid QM/MM approaches. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1997, 214 : 70 - COMP
- [7] Chemical reactivity studied by hybrid QM/MM methods JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1999, 463 (1-2): : 45 - 52
- [8] A critical evaluation of different QM/MM frontier treatments with SCC-DFTB as the QM method JOURNAL OF PHYSICAL CHEMISTRY B, 2005, 109 (18): : 9082 - 9095
- [10] Solvent polarisation and dynamics in hybrid QM/MM methods. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1998, 215 : U541 - U541