共 50 条
- [24] Performance of ab initio and DFT methods in modeling Diels-Alder reactions INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY, 2011, 50 (11): : 1579 - 1586
- [26] Rare Events Sampling Methods for Quantum and Classical Ab Initio Molecular Dynamics JOURNAL OF PHYSICAL CHEMISTRY A, 2024, : 5386 - 5397
- [27] A COMPARISON OF METHODS FOR AB-INITIO MOLECULAR-DYNAMICS AND SIMULATED ANNEALING ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1995, 209 : 238 - PHYS
- [28] Molecular mechanics valence force field for sulfonamides derived by ab initio methods Journal of Physical Chemistry, 1991, 95 (24):
- [29] Advancing ab initio molecular dynamics via multiple-timestep methods ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015, 249