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Stefano Leoni
Stefano Leoni
Associate Professor of Computational Chemistry
Verified email at cf.ac.uk - Homepage
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Cited by
Cited by
Year
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
1712017
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
1452011
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
1192008
Understanding the nature of “superhard graphite”
SE Boulfelfel, AR Oganov, S Leoni
Scientific Reports 2 (1), 471, 2012
1132012
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 85 (1), 014110, 2012
1092012
Superhard carbon allotropes with odd and even ring topologies
D Selli, IA Baburin, R Martoňák, S Leoni
Physical Review B 84 (16), 161411, 2011
1062011
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
1062010
Normal-state correlated electronic structure of iron pnictides from first principles
L Craco, MS Laad, S Leoni, H Rosner
Physical Review B 78 (13), 134511, 2008
1042008
Nucleation and growth in pressure-induced phase transitions from molecular dynamics simulations: Mechanism of the reconstructive transformation of NaCl to the CsCl-type structure
D Zahn, S Leoni
Physical review letters 92 (25), 250201, 2004
1002004
Packings of carbon nanotubes–new materials for hydrogen storage
B Assfour, S Leoni, G Seifert, IA Baburin
Advanced Materials 23 (10), 1237-1241, 2011
942011
Mechanism of the pressure-induced wurtzite to rocksalt transition of CdSe
D Zahn, Y Grin, S Leoni
Physical Review B 72 (6), 064110, 2005
732005
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
662006
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
632018
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
612017
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
572014
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
572000
Structure and Reactivity of [Mo33S-(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
561998
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
542013
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
522011
Walking the Path from - to -Type Structures in GaN
SE Boulfelfel, D Zahn, Y Grin, S Leoni
Physical review letters 99 (12), 125505, 2007
492007
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