共 50 条
- [22] Accurate prediction of hydration free energies and solvation structures using molecular density functional theory with a simple bridge functional JOURNAL OF CHEMICAL PHYSICS, 2021, 155 (02):
- [23] Accurate Prediction of Adiabatic Ionization Potentials of Organic Molecules using Quantum Chemistry Assisted Machine Learning JOURNAL OF PHYSICAL CHEMISTRY A, 2023, 127 (28): : 5914 - 5920
- [25] ACCURATE ABINITIO PREDICTION OF MOLECULAR GEOMETRIES AND SPECTROSCOPIC CONSTANTS, USING SCF AND MP2 ENERGY DERIVATIVES JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1987, 83 : 1577 - 1593
- [27] Predicting Accurate Solvation Free Energy in n-Octanol Using 3D-RISM-KH Molecular Theory of Solvation: Making Right Choices JOURNAL OF PHYSICAL CHEMISTRY B, 2017, 121 (39): : 9268 - 9273
- [28] Prediction of the Atomization Energy of Molecules Using Coulomb Matrix and Atomic Composition in a Bayesian Regularized Neural Networks ARTIFICIAL NEURAL NETWORKS AND MACHINE LEARNING - ICANN 2019: WORKSHOP AND SPECIAL SESSIONS, 2019, 11731 : 793 - 803