共 50 条
- [31] Linear response approximation to reference interaction site model self-consistent field explicitly including spatial electron density distribution. Free energy [J]. JOURNAL OF CHEMICAL PHYSICS, 2013, 138 (16):
- [32] Analytical second derivatives of the free energy in solution by the reference interaction site model self-consistent field explicitly including constrained spatial electron density distribution [J]. JOURNAL OF CHEMICAL PHYSICS, 2021, 155 (20):
- [33] Accurately predicting solvation free energy in aqueous and organic solvents beyond 298 K by combining deep learning and the 1D reference interaction site model [J]. DIGITAL DISCOVERY, 2023, 2 (01): : 177 - 188
- [34] Extension of the coupled reference interaction site model (RISM)/simulation methodology to the determination of relative solvation free energies of biological complexes [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 232 : 285 - 285
- [35] Excited-state free energy surfaces in solution: Time-dependent density functional theory/reference interaction site model self-consistent field method [J]. JOURNAL OF CHEMICAL PHYSICS, 2013, 138 (24):
- [36] Analytical energy gradient for reference interaction site model self-consistent field explicitly including spatial electron density distribution [J]. JOURNAL OF CHEMICAL PHYSICS, 2009, 131 (21):
- [37] Comparison of DNA hydration patterns obtained using two distinct computational methods, molecular dynamics simulation and three-dimensional reference interaction site model theory [J]. JOURNAL OF CHEMICAL PHYSICS, 2008, 128 (18):
- [38] Efficient implementation of three-dimensional reference interaction site model self-consistent-field method: Application to solvatochromic shift calculations [J]. JOURNAL OF CHEMICAL PHYSICS, 2007, 126 (05):
- [39] Calculation of relative solvation free energies of RNA/drug-binding complexes by the coupled reference interaction site model/molecular dynamics method [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 232 : 286 - 286
- [40] Nonequilibrium free-energy profile of charge-transfer reaction in polarizable solvent studied using solvent-polarizable three-dimensional reference interaction-site model theory [J]. JOURNAL OF CHEMICAL PHYSICS, 2020, 153 (03):