|
1 |
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.
|
|
|
|
2 |
Universal Ensemble‐Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures
Enthalten in Advanced materials 12.09.2024. 11 S.
|
|
|
|
3 |
Structures and Properties Prediction of HMX/TATB Co‐Crystal
Enthalten in Propellants, explosives, pyrotechnics Bd. 36, 2011, Nr. 5: 416-423. 8 S.
|
|
|
|
4 |
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.
|
|
|
|
5 |
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
|
|
|
|
6 |
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
|
|
|
|
7 |
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
|
|
|
|
8 |
ChemInform Abstract: Prediction of Stoichiometric PoH n Compounds: Crystal Structures and Properties.
Enthalten in ChemInform Bd. 47, 2016, Nr. 11: no-no. 1 S.
|
|
|
|
9 |
ChemInform Abstract: Synthesis, Crystal Structures, and in silico Toxicity Prediction of Thienopyridine Phosphoramidates.
Enthalten in ChemInform Bd. 45, 2014, Nr. 9: no-no. 1 S.
|
|
|
|
10 |
Evaluating the performance of MM/PBSA for binding affinity prediction using class A GPCR crystal structures
Enthalten in Journal of computer aided molecular design Bd. 33, 15.4.2019, Nr. 5, date:5.2019: 487-496
|
|
Administration
