| Loading of porous metal–organic open frameworks with organometallic CVD precursors: inclusion compounds of the type [L n M] a@ MOF-5 S Hermes, F Schröder, S Amirjalayer, R Schmid, RA Fischer Journal of Materials Chemistry 16 (25), 2464-2472, 2006 | 260 | 2006 |
| Molecular dynamics simulation of benzene diffusion in MOF-5: importance of lattice dynamics S Amirjalayer, M Tafipolsky, R Schmid ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH- 46 (3), 463, 2007 | 245 | 2007 |
| Ballbot-type motion of N-heterocyclic carbenes on gold surfaces G Wang, A Rühling, S Amirjalayer, M Knor, JB Ernst, C Richter, HJ Gao, ... Nature Chemistry 9 (2), 152-156, 2017 | 223 | 2017 |
| MOF‐FF–A flexible first‐principles derived force field for metal‐organic frameworks S Bureekaew, S Amirjalayer, M Tafipolsky, C Spickermann, TK Roy, ... physica status solidi (b) 250 (6), 1128-1141, 2013 | 219 | 2013 |
| Band-like transport in small-molecule thin films toward high mobility and ultrahigh detectivity phototransistor arrays D Ji, T Li, J Liu, S Amirjalayer, M Zhong, ZY Zhang, X Huang, Z Wei, ... Nature communications 10 (1), 12, 2019 | 169 | 2019 |
| Ab initio parametrized MM3 force field for the metal‐organic framework MOF‐5 M Tafipolsky, S Amirjalayer, R Schmid Journal of Computational Chemistry 28 (7), 1169-1176, 2007 | 154 | 2007 |
| Elucidating the binding modes of N-heterocyclic carbenes on a gold surface A Bakker, A Timmer, E Kolodzeiski, M Freitag, HY Gao, H Mönig, ... Journal of the American Chemical Society 140 (38), 11889-11892, 2018 | 113 | 2018 |
| First-principles-derived force field for copper paddle-wheel-based metal− organic frameworks M Tafipolsky, S Amirjalayer, R Schmid The Journal of Physical Chemistry C 114 (34), 14402-14409, 2010 | 110 | 2010 |
| Fast photodynamics of azobenzene probed by scanning excited-state potential energy surfaces using slow spectroscopy EMM Tan, S Amirjalayer, S Smolarek, A Vdovin, F Zerbetto, WJ Buma Nature communications 6 (1), 5860, 2015 | 105 | 2015 |
| Surface polarity and self-structured nanogrooves collaboratively oriented molecular packing for high crystallinity toward efficient charge transport D Ji, X Xu, L Jiang, S Amirjalayer, L Jiang, Y Zhen, Y Zou, Y Yao, H Dong, ... Journal of the American Chemical Society 139 (7), 2734-2740, 2017 | 88 | 2017 |
| Quantitative assessment of intermolecular interactions by atomic force microscopy imaging using copper oxide tips H Mönig, S Amirjalayer, A Timmer, Z Hu, L Liu, O Díaz Arado, M Cnudde, ... Nature Nanotechnology 13 (5), 371-375, 2018 | 81 | 2018 |
| Surface termination of the metal-organic framework HKUST-1: a theoretical investigation S Amirjalayer, M Tafipolsky, R Schmid The Journal of Physical Chemistry Letters 5 (18), 3206-3210, 2014 | 76 | 2014 |
| An iron-iron hydrogenase mimic with appended electron reservoir for efficient proton reduction in aqueous media R Becker, S Amirjalayer, P Li, S Woutersen, JNH Reek Science Advances 2 (1), e1501014, 2016 | 75 | 2016 |
| Orbital directing effects in copper and zinc based paddle-wheel metal organic frameworks: the origin of flexibility S Bureekaew, S Amirjalayer, R Schmid Journal of Materials Chemistry 22 (20), 10249-10254, 2012 | 72 | 2012 |
| Atomistic theoretical models for nanoporous hybrid materials M Tafipolsky, S Amirjalayer, R Schmid Microporous and mesoporous materials 129 (3), 304-318, 2010 | 66 | 2010 |
| Prediction of structure and properties of boron-based covalent organic frameworks by a first-principles derived force field S Amirjalayer, RQ Snurr, R Schmid The Journal of Physical Chemistry C 116 (7), 4921-4929, 2012 | 65 | 2012 |
| Conformational isomerism in the isoreticular metal organic framework family: A force field investigation S Amirjalayer, R Schmid The Journal of Physical Chemistry C 112 (38), 14980-14987, 2008 | 63 | 2008 |
| Mechanism of benzene diffusion in MOF-5: A molecular dynamics investigation S Amirjalayer, R Schmid Microporous and mesoporous materials 125 (1-2), 90-96, 2009 | 61 | 2009 |
| Amplified vibrational circular dichroism as a probe of local biomolecular structure SR Domingos, A Huerta-Viga, L Baij, S Amirjalayer, DAE Dunnebier, ... Journal of the American Chemical Society 136 (9), 3530-3535, 2014 | 59 | 2014 |
| Exploring network topologies of copper paddle wheel based metal–organic frameworks with a first-principles derived force field S Amirjalayer, M Tafipolsky, R Schmid The Journal of Physical Chemistry C 115 (31), 15133-15139, 2011 | 59 | 2011 |
