| Product tunable behavior of carbon nanotubes-supported Ni–Fe catalysts for guaiacol hydrodeoxygenation H Fang, J Zheng, X Luo, J Du, A Roldan, S Leoni, Y Yuan Applied Catalysis A: General 529, 20-31, 2017 | 185 | 2017 |
| Route to a Family of Robust, Non‐interpenetrated Metal–Organic Frameworks with pto‐like Topology N Klein, I Senkovska, IA Baburin, R Gruenker, U Stoeck, ... Chemistry–A European Journal 17 (46), 13007-13016, 2011 | 148 | 2011 |
| Enumeration of not-yet-synthesized zeolitic zinc imidazolate MOF networks: a topological and DFT approach IA Baburin, S Leoni, G Seifert The Journal of Physical Chemistry B 112 (31), 9437-9443, 2008 | 122 | 2008 |
| Understanding the nature of “superhard graphite” SE Boulfelfel, AR Oganov, S Leoni Scientific Reports 2 (1), 471, 2012 | 114 | 2012 |
| Squeezing lone pairs: The 17 to 7 pressure-induced phase transition in black phosphorus SE Boulfelfel, G Seifert, Y Grin, S Leoni Physical Review B—Condensed Matter and Materials Physics 85 (1), 014110, 2012 | 111 | 2012 |
| Hydrogen adsorption sites in zeolite imidazolate frameworks ZIF-8 and ZIF-11 B Assfour, S Leoni, G Seifert The Journal of Physical Chemistry C 114 (31), 13381-13384, 2010 | 108 | 2010 |
| Superhard carbon allotropes with odd and even ring topologies D Selli, IA Baburin, R Martoňák, S Leoni Physical Review B—Condensed Matter and Materials Physics 84 (16), 161411, 2011 | 107 | 2011 |
| Normal-state correlated electronic structure of iron pnictides from first principles L Craco, MS Laad, S Leoni, H Rosner Physical Review B—Condensed Matter and Materials Physics 78 (13), 134511, 2008 | 104 | 2008 |
| Nucleation and Growth in Pressure-Induced Phase Transitions from Molecular Dynamics Simulations: Mechanism of the Reconstructive Transformation<? format?> of NaCl to the CsCl … D Zahn, S Leoni Physical review letters 92 (25), 250201, 2004 | 103 | 2004 |
| Packings of carbon nanotubes–new materials for hydrogen storage B Assfour, S Leoni, G Seifert, IA Baburin Advanced Materials 23 (10), 1237-1241, 2011 | 95 | 2011 |
| Mechanism of the pressure-induced wurtzite to rocksalt transition of CdSe D Zahn, Y Grin, S Leoni Physical Review B—Condensed Matter and Materials Physics 72 (6), 064110, 2005 | 75 | 2005 |
| On the Mechanism of Gold/NHC Compounds Binding to DNA G‐Quadruplexes: Combined Metadynamics and Biophysical Methods D Wragg, A De Almeida, R Bonsignore, FE Kühn, S Leoni, A Casini Angewandte Chemie 130 (44), 14732-14736, 2018 | 69 | 2018 |
| High-pressure crystal chemistry of binary intermetallic compounds R Demchyna, S Leoni, H Rosner, U Schwarz Zeitschrift für Kristallographie-Crystalline Materials 221 (5-7), 420-434, 2006 | 68 | 2006 |
| The mechanism of aquaporin inhibition by gold compounds elucidated by biophysical and computational methods A De Almeida, AF Mósca, D Wragg, M Wenzel, P Kavanagh, G Barone, ... Chemical communications 53 (27), 3830-3833, 2017 | 67 | 2017 |
| Zeolitic imidazolate framework-71 nanocrystals and a novel SOD-type polymorph: solution mediated phase transformations, phase selection via coordination modulation and a … ME Schweinefuß, S Springer, IA Baburin, T Hikov, K Huber, S Leoni, ... Dalton Transactions 43 (9), 3528-3536, 2014 | 60 | 2014 |
| Atomistic investigation of Li+ diffusion pathways in the olivine LiFePO 4 cathode material SE Boulfelfel, G Seifert, S Leoni Journal of Materials Chemistry 21 (41), 16365-16372, 2011 | 58 | 2011 |
| Ce4[Si4O4N6]O‐A Hyperbolically Layered Oxonitridosilicate Oxide with an Ordered Distribution of Oxygen and Nitrogen E Irran, K Köllisch, S Leoni, R Nesper, PF Henry, MT Weller, W Schnick Chemistry–A European Journal 6 (15), 2714-2720, 2000 | 58 | 2000 |
| Structure and Reactivity of [Mo3-μ3S-(μS2)3]4+ Complexes. Quantum Chemical Calculations, X-ray Structural Characterization, and Raman Spectroscopic … MJ Mayor-López, J Weber, K Hegetschweiler, MD Meienberger, F Joho, ... Inorganic chemistry 37 (11), 2633-2644, 1998 | 58 | 1998 |
| A two-electron mechanism of lithium insertion into layered α-MoO 3: a DFT and DFT+ U study M Baldoni, L Craco, G Seifert, S Leoni Journal of Materials Chemistry A 1 (5), 1778-1784, 2013 | 56 | 2013 |
| Walking the Path from - to -Type Structures in GaN SE Boulfelfel, D Zahn, Y Grin, S Leoni Physical review letters 99 (12), 125505, 2007 | 53 | 2007 |
Igor BaburinTheoretische Chemie, TU DresdenVerified email at chemie.tu-dresden.de
