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dft
5Documents about dft
Documents about dft
- The effect of the functional groups of organic contaminants on their adsorption to PET microplastics: a combined DFT and QSPR approach#15497HAL (France)
- Structure and Dynamics of Paramagnetic Iron(II) Sites from the DFT-Assisted Solid-State NMR of Molecular and Surface Species#68255HAL (France)
- Theoretical Investigation of the Ground-State Properties of DMTTF−CA: A Step toward the Understanding of Charge Transfer Complexes Undergoing the Neutral-to-Ionic Phase Transition#124536HAL (France)
- Modélisation à l'échelle atomique de Cycloparaphénylènes avec les techniques ab initio#288190HAL (France)
- Review of recent progress of lead-free perovskite materials for photovoltaic applications#1440952Figshare
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