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46 积分 2025-07-11 加入
Quantifying hydrogen bonding using electrically tunable nanoconfined water
4天前
已完结
A Benchmark Study of Aromaticity Indexes for Benzene, Pyridine, and the Diazines - II. Excited State Aromaticity
8天前
已完结
Aromaticity of Distorted Benzene Rings: Exploring the Validity of Different Indicators of Aromaticity
9天前
已完结
Topological analysis of information-theoretic quantities in density functional theory
10天前
已完结
A journey through metallophilic interactions: computational approaches and insights
1个月前
已完结
UnderstandingRamachandranplot for dipeptide: A density functional theory and information‐theoreticapproach study
2个月前
已完结
Evaluation of B3LYP, X3LYP, and M06-Class Density Functionals for Predicting the Binding Energies of Neutral, Protonated, and Deprotonated Water Clusters
2个月前
已完结
Exploring the Limit of Accuracy of the Global Hybrid Meta Density Functional for Main-Group Thermochemistry, Kinetics, and Noncovalent Interactions
2个月前
已完结
Growth of diamond particles from methane-hydrogen gas
2个月前
已完结
Organometallic mediated radical polymerization of vinyl acetate using bis(imino)pyridine vanadium trichloride complexes
3个月前
已完结
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