共 50 条
- [21] The cluster-continuum model for the calculation of the solvation free energy of ionic species [J]. JOURNAL OF PHYSICAL CHEMISTRY A, 2001, 105 (30): : 7241 - 7247
- [26] ON THE CALCULATION OF THE DISPERSION CONTRIBUTION TO THE FREE-ENERGY OF SOLVATION BY USING CAVITY MODELS [J]. COMPTES RENDUS DE L ACADEMIE DES SCIENCES SERIE II, 1984, 298 (16): : 675 - 678
- [27] Estimating the activation energy for hydrogen abstraction reactions by a semiempirical calculation. [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1999, 218 : U620 - U620
- [28] Free energy calculation using Monte Carlo simulation [J]. QUIMICA NOVA, 1996, 19 (02): : 166 - 172
- [29] The role of bonded terms in free energy simulations. 2. Calculation of their influence on free energy differences of solvation [J]. JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (01): : 119 - 136
- [30] CALCULATION OF SOLVATION ENERGY OF DIPOLAR MOLECULES [J]. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1974, 70 (08): : 1145 - 1147