| 127. | Real-time time-dependent density functional theory using density fitting and the continuous fast multipole method C. Müller, M. Sharma, M. Sierka J. Comput. Chem. 2020, accepted. |
| 126. | Thermomechanical properties of zero thermal expansion materials from theory and experiments A. Erlebach, C. Thieme, C. Müller, S. Hoffmann, T. Höche, C. Rüssel, M. Sierka Phys. Chem. Chem. Phys. 2020, accepted. |
| 125. | Block Copolymers Composed of PEtOx and Polyesteramides Based on Glycolic Acid, L-valine and L-isoleucine M. Dirauf, A. Erlebach, C. Weber, S. Hoeppener, J. Buchheim, M. Sierka, U. S. Schubert Macromolecules 2020, 53, 13580–3590. |
| 124. | TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations S. G. Balasubramani, G. P. Chen, S. Coriani, M. Diedenhofen, M. S. Frank, Y. J. Franzke, F. Furche, R. Grotjahn, M. E. Harding, C. Hättig, A. Hellweg, B. Helmich-Paris, C. Holzer, U. Huniar, M. Kaupp, A. M. Khah, S. K. Khani, T. Müller, F. Mack, B. D. Nguyen, S. M. Parker, E. Perlt, D. Rappoport, K. Reiter, S. Roy, M. Rückert, G. Schmitz, M. Sierka, E. Tapavicza, D. P. Tew, C. van Wüllen, V. K. Voora, F. Weigend, A. Wodynski, J. M. Yu J. Chem. Phys. 2020, 152, 184107. |
| 123. | A Silica Bilayer Supported on Ru(0001): Following the Crystalline‐to Vitreous Transformation in Real Time with Spectro‐microscopy H. W. Klemm, M. J. Prieto, F. Xiong, G. B. Hassine, M. Heyde, D. Menzel, M. Sierka, T. Schmidt, H.-J. Freund Angew. Chem. Int. Ed. 2020, 59, 10587-10593. |
| 122. | Predicting Solubility of Small Molecules in Macromolecular Compounds for Nanomedicine Application from Atomistic Simulations A. Erlebach, I. Muljajew, M. Chi, C. Bückmann, C. Weber, U. S. Schubert, M. Sierka Adv. Theory Simul. 2020, 3, 2000001. |
| 121. | Palladium speciation in UV‐transparent glasses B. So, D. Bust, S. Fuhrmann, M. Sierka, M. Peng, H. Ebendorff-Heidepriem, L. Wondraczek J. Am. Ceram. Soc. 2020, 103, 4214-4223. |
| 120. | Effect of an electric field during the deposition of silicon dioxide thin films by plasma enhanced atomic layer deposition: an experimental and computational study V. Beladiya, M. Becker, T. Faraz, W. M. M. (Erwin) Kessels, P. Schenk, F. Otto, T. Fritz, M. Gruenewald, C. Helbing, K. D. Jandt, A. Tünnermann, M. Sierka, A. Szeghalmi Nanoscale 2020, 12, 2089-2102. |
| 119. | A polyesteramide library from dicarboxylic acids and 2,2′-bis(2-oxazoline): synthesis, characterization, nanoparticle formulation and molecular dynamics simulations I. Muljajew, A. Erlebach, C. Weber, J. R. Buchheim, M. Sierka, U. S. Schubert Polym. Chem. 2020, 11, 112-124. |
2020
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