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Universal Ensemble‐Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures (Adv. Mater. 46/2024)
Enthalten in Advanced materials Bd. 36, 2024, Nr. 46. 1 S.
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Universal Ensemble‐Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures
Enthalten in Advanced materials 12.09.2024. 11 S.
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Prediction of new crystal structures under extreme conditions
Schärf, Daniel. - Mainz : Universitätsbibliothek Mainz, 2015
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Prediction and Calculation of Crystal Structures
Cham : Springer International Publishing, 2014, Aufl. 2014
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Structures and Properties Prediction of HMX/TATB Co‐Crystal
Enthalten in Propellants, explosives, pyrotechnics Bd. 36, 2011, Nr. 5: 416-423. 8 S.
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From Crystal Structures and Their Analysis to the in silico Prediction of Toxic Phenomena †
Enthalten in Helvetica chimica acta Bd. 86, 2003, Nr. 5: 1554-1568. 15 S.
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Polymer crystal silverware: a fast method for the prediction of polymer crystal structures
Enthalten in Polymer bulletin Bd. 36, Nr. 5, date:5.1996: 645-652
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The ab initio prediction of yet unknown molecular crystal structures by solving the crystal packing problem
Enthalten in Journal of computer-aided materials design Bd. 1, Nr. 2, date:4.1994: 177-185
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Assembled crystal structures of cubic patchy colloid-droplet mixtures: theoretical prediction and simulation study
Enthalten in Colloid & polymer science Bd. 301, 6.1.2023, Nr. 2, date:2.2023: 163-173
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ChemInform Abstract: Prediction of Stoichiometric PoH n Compounds: Crystal Structures and Properties.
Enthalten in ChemInform Bd. 47, 2016, Nr. 11: no-no. 1 S.
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