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22 积分 2023-10-18 加入
OmniXAS: A universal deep-learning framework for materials x-ray absorption spectra
8小时前
已完结
Multicode benchmark on simulated Ti K-edge x-ray absorption spectra of Ti-O compounds
8小时前
已完结
Effects of structural variations to x-ray absorption spectra of g-C3N4: Insight from DFT and TDDFT simulations
15天前
已完结
Exploring the impact of ions on oxygen K-edge X-ray absorption spectroscopy in NaCl solution using the GW-Bethe-Salpeter-equation approach
3个月前
已完结
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
3个月前
已完结
Effects of structural variations to x-ray absorption spectra of g-C3N4: Insight from DFT and TDDFT simulations
4个月前
已完结
Franck-Condon simulation of vibrationally resolved x-ray spectra for diatomic systems: Validation of the harmonic approximation and density functional theory
4个月前
已完结
Developments in Extended X-Ray Absorption Fine Structure Applied to Chemical Systems
4个月前
已完结
White lines in x-ray absorption
4个月前
已完结
Thiosalicylic‐Acid‐Mediated Coordination Structure of Nickel Center via Thermodynamic Modulation for Aqueous Ni–Zn Batteries
4个月前
已完结
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