rare_earth_complexes_data.zip
<p dir="ltr">This dataset contains the 3D geometries and computed quantum chemical energies for a library of rare-earth complexes (RECs), focusing on hydroxypyridinone (HOPO) and catecholamide (CAM) derivatives. The dataset was generated to support the training and evaluation of equi...
محفوظ في:
| المؤلف الرئيسي: | Ankur Gupta (21617087) (author) |
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| منشور في: |
2025
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| الموضوعات: | |
| الوسوم: |
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مواد مشابهة
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Synthesis, characterization and reactivity of a series of alkaline earth and rare earth iminophosphoranomethanide complexes
حسب: Fabrizio Ortu (14158020)
منشور في: (2024) -
Data for paper: Benzene Tetra-anion Complexes of Early and Late Rare-Earth Metals
حسب: Ming Liu (20903971)
منشور في: (2025) -
Data for paper: Four-Center, Multi-Electron Bonding in Rare-Earth Germole Sandwich Complexes
حسب: Richard Layfield (5178893)
منشور في: (2025) -
Data for paper: Reduction of Rare-Earth Stannole Sandwich Complexes to Tin-Based Radical Ligands and Tin-Tin Bonds
حسب: Richard Layfield (5178893)
منشور في: (2025) -
Benchmarking Density Functional Methods for Accurate Prediction of Ground and Excited State Reduction and Oxidation Potentials of Organic Photoredox Catalysts
حسب: Leticia Adao Gomes (17978842)
منشور في: (2025)