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54 积分 2023-01-27 加入
Ultrafast studies of elusive chemical reactions in the gas phase
10天前
已完结
Spin-polarized DFT calculations of elemental effects on hydrogen atom adsorption on FeCrAl (1 1 0) surface
16天前
已完结
Density Functional Theory in Transition-Metal Chemistry: A Self-Consistent HubbardUApproach
16天前
已完结
Engineering graphitic carbon nitride (g-C3N4) for catalytic reduction of CO2to fuels and chemicals: strategy and mechanism
29天前
已完结
An SN2 Reaction at Amide Nitrogen Enables Hydrazide Synthesis
1个月前
已完结
Nucleophilic Substitution at Phosphorus Centres – Old and Recent Studies and a Final Solution of Mechanistic and Related Stereochemical Problems
1个月前
已完结
Realization of Conceptual Density Functional Theory and Information‐Theoretic Approach in Multiwfn Program
1个月前
已完结
Revisiting nucleophilicity: an index for chemical reactivity from a CDFT approach
1个月前
已完结
Spatially separated HOMO-LUMO sites in highly intra- and inter-plane crystalline g-C3N4 photocatalyst for exceptional H2 generation
1个月前
已完结
Detailed quasiclassical dynamics of the F− + CH3Br reaction on an ab initio analytical potential energy surface
1个月前
已完结
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