دنبال کردن
Marek Sierka
Marek Sierka
Otto-Schott-Institut für Materialforschung, Friedrich-Schiller-Universität Jena
ایمیل تأیید شده در uni-jena.de - صفحهٔ اصلی
عنوان
نقل شده توسط
نقل شده توسط
سال
Fast evaluation of the Coulomb potential for electron densities using multipole accelerated resolution of identity approximation
M Sierka, A Hogekamp, R Ahlrichs
The Journal of chemical physics 118 (20), 9136-9148, 2003
11682003
TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations
SG Balasubramani, GP Chen, S Coriani, M Diedenhofen, MS Frank, ...
The Journal of chemical physics 152 (18), 2020
9182020
Wiley Interdiscip
F Furche, R Ahlrichs, C Hättig, W Klopper, M Sierka, F Weigend
Rev.: Comput. Mol. Sci 4 (2), 91-100, 2014
8662014
Turbomole
F Furche, R Ahlrichs, C Hättig, W Klopper, M Sierka, F Weigend
Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (2), 91-100, 2014
5592014
Application of semiempirical long‐range dispersion corrections to periodic systems in density functional theory
T Kerber, M Sierka, J Sauer
Journal of computational chemistry 29 (13), 2088-2097, 2008
3392008
Combining quantum mechanics and interatomic potential functions in ab initio studies of extended systems
J Sauer, M Sierka
Journal of Computational Chemistry 21 (16), 1470-1493, 2000
3022000
Aluminum Siting in Silicon‐Rich Zeolite Frameworks: A Combined High‐Resolution 27Al NMR Spectroscopy and Quantum Mechanics / Molecular Mechanics …
S Sklenak, J Dědeček, C Li, B Wichterlová, V Gábová, M Sierka, J Sauer
Angewandte Chemie International Edition 46 (38), 7286-7289, 2007
2932007
Growth and structure of crystalline silica sheet on Ru (0001)
D Löffler, JJ Uhlrich, M Baron, B Yang, X Yu, L Lichtenstein, L Heinke, ...
Physical review letters 105 (14), 146104, 2010
2622010
Coordination and siting of Cu+ ions in ZSM-5: A combined quantum mechanics/interatomic potential function study
D Nachtigallová, P Nachtigall, M Sierka, J Sauer
Physical Chemistry Chemical Physics 1 (8), 2019-2026, 1999
2601999
The atomic structure of a metal‐supported vitreous thin silica film
L Lichtenstein, C Büchner, B Yang, S Shaikhutdinov, M Heyde, M Sierka, ...
Angewandte Chemie-International Edition 51 (2), 404, 2012
2572012
Atomic Structure of a Thin Silica Film on a Mo(112) Substrate: <?format ?>A Two-Dimensional Network of Tetrahedra
J Weissenrieder, S Kaya, JL Lu, HJ Gao, S Shaikhutdinov, HJ Freund, ...
Physical review letters 95 (7), 076103, 2005
2532005
Structure and reactivity of silica and zeolite catalysts by a combined quantum mechanics [ndash] shell-model potential approach based on DFT
M Sierka, J Sauer
Faraday Discussions 106, 41-62, 1997
2441997
Aluminium siting in the ZSM-5 framework by combination of high resolution 27Al NMR and DFT/MM calculations
S Sklenak, J Dědeček, C Li, B Wichterlova, V Gabova, M Sierka, J Sauer
Physical Chemistry Chemical Physics 11 (8), 1237-1247, 2009
2412009
Density functional study of palladium clusters
P Nava, M Sierka, R Ahlrichs
Physical Chemistry Chemical Physics 5 (16), 3372-3381, 2003
2232003
Finding transition structures in extended systems: A strategy based on a combined quantum mechanics–empirical valence bond approach
M Sierka, J Sauer
The Journal of Chemical Physics 112 (16), 6983-6996, 2000
1822000
Proton mobility in chabazite, faujasite, and ZSM-5 zeolite catalysts. Comparison based on ab initio calculations
M Sierka, J Sauer
The journal of physical chemistry B 105 (8), 1603-1613, 2001
1652001
Quantum crystallography: Current developments and future perspectives
A Genoni, L Bučinský, N Claiser, J Contreras‐García, B Dittrich, ...
Chemistry–A European Journal 24 (43), 10881-10905, 2018
1432018
Unexpected structures of aluminum oxide clusters in the gas phase
M Sierka, J Dobler, J Sauer, G Santambrogio, M Brummer, L Woste, ...
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH- 46 (18), 3372, 2007
1422007
Thin silica films on Ru (0001): monolayer, bilayer and three-dimensional networks of [SiO 4] tetrahedra
B Yang, WE Kaden, X Yu, JA Boscoboinik, Y Martynova, L Lichtenstein, ...
Physical Chemistry Chemical Physics 14 (32), 11344-11351, 2012
1342012
Computational elucidation of the transition state shape selectivity phenomenon
LA Clark, M Sierka, J Sauer
Journal of the American Chemical Society 126 (3), 936-947, 2004
1332004
سیستم در حال حاضر قادر به انجام عملکرد نیست. بعداً دوباره امتحان کنید.
مقاله‌ها 1–20