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50 积分 2023-08-11 加入
Simple, Efficient, and Universal Energy Decomposition Analysis Method Based on Dispersion-Corrected Density Functional Theory
2天前
已完结
Quantum mechanical insights into the structural and conformational features of benzimidazolium ionophore and its ion pairs
2天前
已完结
Investigation of novel Indoline azo disperse dyes: synthesis, DFT simulation, and dyeing performance on PET and PA fabrics
25天前
已完结
Engineering a Near-Infrared Spiro-Based Aggregation-Induced Emission Luminogen for DNAzyme-Sensitized Photothermal Therapy with High Efficiency and Accuracy
4个月前
已完结
Enhancing the Reactivity of an Aromatic cyclo‐P5 Ligand via Electrophilic Activation
5个月前
已完结
Strong Be–Be Covalent Bond in Be2L2 and Na2Be2L2 Molecules with Cyano-Based Ligands
9个月前
已完结
Non-covalent interaction in benzene and substituted benzene: A theoretical study
9个月前
已完结
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
9个月前
已完结
Cocrystals assembled from iodoperfluorobenzene and flexible NTPO via halogen and π-hole bonds
9个月前
已完结
Anion–π interactions in protein–porphyrin complexes
9个月前
已完结
Pathophysiological mechanisms of hepatic stellate cells activation in liver fibrosis
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