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824 积分 2025-09-18 加入
Bio‐Inspired Synthetic Hydrogen‐Bonded Organic Frameworks for Efficient Proton Conduction
15天前
已完结
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
15天前
已完结
Effect of the damping function in dispersion corrected density functional theory
15天前
已完结
Density functionals with broad applicability in chemistry
16天前
已完结
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
16天前
已完结
Modeling Proton Transfer in Imidazole-like Dimers: A Density Functional Theory Study
16天前
已完结
Modeling proton transfer in imidazole-like dimers: a density functional theory study
16天前
已完结
Do Special Noncovalent π–π Stacking Interactions Really Exist?
16天前
已完结
Transport in Proton Conductors for Fuel-Cell Applications: Simulations, Elementary Reactions, and Phenomenology
16天前
已完结
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
16天前
已完结
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