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0 积分 2024-10-15 加入
Intermolecular interaction of Al8O12 oxymetallic clusters in the detection of atmospheric pollutants: a DFT exploration of CO, CO2, H2, N2, NO, NO2, O2, and SO2, binding mechanisms
3小时前
待确认
Range Separation of the Interaction Potential in Intermolecular and Intramolecular Symmetry-Adapted Perturbation Theory
4小时前
已完结
Noncovalent Interactions of 1,4-Dithiafulvene and Nitroaromatics: A Combined DFT and Ab Initio Molecular Dynamics (AIMD) Study
4小时前
已完结
α-methylation and α-fluorination electronic effects on the regioselectivity of carbonyl groups of uracil by H and triel bonds in the interaction of U, T and 5FU with HCl and TrH3 (Tr = B, Al)
4小时前
已完结
Adsorption and Sensing Performance of Transition Metal Decorated Graphene Quantum Dots for AsH3, NH3, PH3, and H2S
2天前
已完结
NHC Catalyzed β-Carbon functionalization of carboxylic esters towards formation of δ-Lactams: A mechanistic study
3天前
已完结
Adsorption and Sensing Performance of Transition Metal Decorated Graphene Quantum Dots for AsH3, NH3, PH3, and H2S
3天前
已完结
Engineered non-covalent π interactions as key elements for chiral recognition
3天前
已完结
Halogen Interactions in Halogenated Oxindoles: Crystallographic and Computational Investigations of Intermolecular Interactions
7天前
已完结
Two halogenated coplanar Schiff base complexes: Insights into the impact of halogen substitution on intermolecular interactions via theoretical calculations
7天前
已完结
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