Lv6
1720 积分 2025-11-23 加入
Charge equilibration for molecular dynamics simulations
7小时前
待确认
Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology
7小时前
待确认
Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials
8小时前
待确认
RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials
8小时前
待确认
The Role of Ni in Stabilizing BaZrO 3 Surfaces at Ni/BaZrO 3 Interfaces: A Density Functional Theory Analysis
2天前
已关闭
MgO-modified PtSn/Ce-DMSN as an efficient catalyst for oxidative dehydrogenation of propane with carbon dioxide
3天前
已完结
Enhancing low-temperature NH3-SCR performance with hollow structure Cu/SAPO-34 catalysts
3天前
已完结
Engineering hierarchical pores in FeCo-N-C catalysts to construct advanced cathode catalyst layers for AEMFCs with alleviated water management
3天前
已完结
Synthesis of highly active binary alloy acidic oxygen evolution catalysts assisted by machine learning
3天前
已关闭
Predicting Partial Atomic Charges in Metal–Organic Frameworks: An Extension to Ionic MOFs
4天前
已完结
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