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8 积分 2026-08-11 加入
Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density
1天前
已完结
Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
1天前
已完结
Density-functional thermochemistry. III. The role of exact exchange
1天前
已完结
Properties of Hydrogen-Bonded Complexes Obtained from the B3LYP Functional with 6-31G(d,p) and 6-31+G(d,p) Basis Sets: Comparison with MP2/6-31+G(d,p) Results and Experimental Data
1天前
已完结
Starch-integrated cathode with linear sulfur and activated iodine catalyst: Synergistically boosting kinetics of aqueous zinc-sulfur batteries
1天前
已完结
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