Lv21
170 积分 2022-11-19 加入
Nature of metal-support interaction for metal catalysts on oxide supports
5小时前
已完结
Electron spin resonance of single iron phthalocyanine molecules and role of their non-localized spins in magnetic interactions
1个月前
已完结
A conundrum for density functional theory
2个月前
已完结
Model Hamiltonian for the interaction of NO with the Au(111) surface
2个月前
已完结
Fewer false positives in electrocatalytic nitrogen reduction by synergizing theory and experiment
2个月前
已完结
Diabatic model for electrochemical hydrogen evolution based on constrained DFT configuration interaction
2个月前
已完结
Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
2个月前
已完结
Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I
3个月前
已完结
Vibrational Promotion of Electron Transfer
3个月前
已完结
A pragmatic protocol for determining charge transfer states of molecules at metal surfaces by constrained density functional theory
3个月前
已完结
Towards a mathematical theory of complex socio-economical systems by functional subsystems representation
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