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1980 积分 2022-10-27 加入
Density-functional thermochemistry. I. The effect of the exchange-only gradient correction
1天前
已完结
A promising anchor group for efficient organic dye sensitized solar cells with iodine-free redox shuttles: a theoretical evaluation
1天前
已完结
Organic Dye Design Tools for Efficient Photocurrent Generation in Dye‐Sensitized Solar Cells: Exciton Binding Energy and Electron Acceptors
1天前
已完结
Relationship between the molecular orbital structure of the dyes and photocurrent density in the dye-sensitized solar cells
1天前
已完结
First principles study of organic sensitizers for dye sensitized solar cells: effects of anchoring groups on optoelectronic properties and dye aggregation
1天前
已完结
On the Theory of Oxidation-Reduction Reactions Involving Electron Transfer. I
1天前
已完结
Supramolecular Binding Thermodynamics by Dispersion‐Corrected Density Functional Theory
1天前
已完结
Shermo: A general code for calculating molecular thermochemistry properties
1天前
已完结
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
1天前
已完结
Accurate Coulomb-fitting basis sets for H to Rn
1天前
已完结
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