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40 积分 2024-09-18 加入
Probing the Pharmacological Mechanisms and Optimization of NIK Inhibitor Via Gaussian Accelerated Molecular Dynamics Simulations
1天前
待确认
Comparative study of methanol adsorption and decomposition on Pt and Ni decorated TiO2(110) surfaces using first principles
2天前
已完结
A comparative DFT study on the dehydrogenation of methanol on Rh(100) and Rh(110)
2天前
已完结
Systematic DFT studies of CO-Tolerance and CO oxidation on Cu-doped Ni surfaces
14天前
已完结
CO Adsorption Mechanisms on Transition Metal Surfaces and Factors Influencing the Adsorption
1个月前
已完结
Improving the DFT computational accuracy for CO activation on Fe surfaces by Bayesian error estimation functional with van der Waals correlation
3个月前
已完结
Insights on selective Pb adsorption via O 2p orbit in UiO-66 containing rich-zirconium vacancies
3个月前
已完结
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