Lv1
60 积分 2022-10-06 加入
Structure and noncovalent interactions in ionic liquids mixtures and deep eutectic solvents
3小时前
已完结
Extending machine learning beyond interatomic potentials for predicting molecular properties
11个月前
已完结
Predicting Thermodynamic Properties of Alkanes by High-Throughput Force Field Simulation and Machine Learning
11个月前
已完结
Crystallization Regulation and Defect Passivation for Efficient Inverted Wide‐Bandgap Perovskite Solar Cells with over 21% Efficiency
1年前
已完结
Enhancing the Properties of Self‐Healing Gelatin Alginate Hydrogels by Hofmeister Mediated Electrostatic Effect
1年前
已完结
Intermediates‐induced CO2 reduction reaction activity at single‐atom M‐N2 (M = Fe, Co, Ni) sites
1年前
已完结
Competition between Elimination and Substitution for Ambident Nucleophiles CN– and Iodoethane Reactions in Gaseous and Aqueous Medium
1年前
已完结
Post-Transition-State Direct Dynamics Simulations on the Ozonolysis of Catechol
1年前
已完结
Predicting Solvent Effects on SN2 Reaction Rates – Comparison of QM/MM, Implicit and MM Explicit Solvent Models
1年前
已完结
Dynamical Effects of SN2 Reactivity Suppression by Microsolvation: Dynamics Simulations of the F–(H2O) + CH3I Reaction on a 21-Dimensional Potential Energy Surface
1年前
已完结
皖公网安备34019202002308
