Spatial configurations of Ti- and Ni- species catalyzing complex metal hydrides: X-ray absorption studies and first-principles DFT and MD calculations

Physics & Astronomy

• metal hydrides 92%
• hydrogen 43%
• configurations 37%
• x rays 31%
• cycles 31%
• products 30%
• coordination number 26%
• surface diffusion 25%
• reactivity 23%
• reaction kinetics 21%
• density functional theory 18%
• decomposition 17%
• valence 17%
• molecular dynamics 17%
• expansion 14%
• scattering 12%
• metals 12%
• atoms 11%
• electrons 9%
• simulation 9%

Agriculture & Biology

• hydrides 100%
• hydrogen 64%
• X-radiation 62%
• metals 53%
• density functional theory 41%
• molecular dynamics 30%
• electrons 17%
• degradation 14%

Earth & Environmental Sciences

• species complex 94%
• hydrogen 54%
• metal 42%
• calculation 38%
• reaction rate 23%
• product 22%
• coordination 22%
• scattering 18%
• decomposition 17%
• electron 16%
• chemical 11%
• simulation 10%
• material 9%