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Luca Bertini
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The Impact of Nanostructuring on the Thermal Conductivity of Thermoelectric CoSb3
MS Toprak, C Stiewe, D Platzek, S Williams, L Bertini, E Müller, C Gatti, ...
Advanced Functional Materials 14 (12), 1189-1196, 2004
3462004
Chemical information from the source function
C Gatti, F Cargnoni, L Bertini
Journal of computational chemistry 24 (4), 422-436, 2003
1952003
Interstitial Zn Atoms Do the Trick in Thermoelectric Zinc Antimonide, Zn4Sb3: A Combined Maximum Entropy Method X‐ray Electron Density and Ab Initio …
F Cargnoni, E Nishibori, P Rabiller, L Bertini, GJ Snyder, M Christensen, ...
Chemistry–A European Journal 10 (16), 3861-3870, 2004
1742004
Insights into the Mechanism of Electrocatalytic Hydrogen Evolution Mediated by Fe2(S2C3H6)(CO)6:  The Simplest Functional Model of the Fe-Hydrogenase …
C Greco, G Zampella, L Bertini, M Bruschi, P Fantucci, L De Gioia
Inorganic chemistry 46 (1), 108-116, 2007
1182007
Thermoelectrics Handbook: Macro to Nano
H Scherrer, DM Rowe, T Kajikawa, K Matsubara, JP Issi, HJ Goldsmid, ...
CRC press, 2018
1152018
Nanostructured skutterudites: Synthesis, thermoelectric properties, and theoretical modeling
L Bertini, C Stiewe, M Toprak, S Williams, D Platzek, A Mrotzek, Y Zhang, ...
Journal of applied physics 93 (1), 438-447, 2003
1112003
Nanostructured Co1− xNix (Sb1− yTey) 3 skutterudites: Theoretical modeling, synthesis and thermoelectric properties
C Stiewe, L Bertini, M Toprak, M Christensen, D Platzek, S Williams, ...
Journal of Applied Physics 97 (4), 2005
1002005
Catalytic mechanism of fungal lytic polysaccharide monooxygenases investigated by first-principles calculations
L Bertini, R Breglia, M Lambrughi, P Fantucci, L De Gioia, M Borsari, ...
Inorganic chemistry 57 (1), 86-97, 2018
942018
CO disrupts the reduced H-cluster of FeFe hydrogenase. A combined DFT and protein film voltammetry study
C Baffert, L Bertini, T Lautier, C Greco, K Sybirna, P Ezanno, E Etienne, ...
Journal of the American Chemical Society 133 (7), 2096-2099, 2011
842011
Guest–Framework Interaction in Type I Inorganic Clathrates with Promising Thermoelectric Properties: On the Ionic versus Neutral Nature of the Alkaline‐Earth Metal Guest A in A8Ga …
C Gatti, L Bertini, NP Blake, BB Iversen
Chemistry–A European Journal 9 (18), 4556-4568, 2003
832003
Unsensitized photochemical hydrogen production catalyzed by diiron hydrides
W Wang, TB Rauchfuss, L Bertini, G Zampella
Journal of the American Chemical Society 134 (10), 4525-4528, 2012
782012
The impact of the actual geometrical structure of a thermoelectric material on its electronic transport properties: The case of doped skutterudite systems
L Bertini, C Gatti
The Journal of chemical physics 121 (18), 8983-8989, 2004
612004
The local form of the source function as a fingerprint of strong and weak intra-and intermolecular interactions
C Gatti, L Bertini
Acta Crystallographica Section A: Foundations of Crystallography 60 (5), 438-449, 2004
612004
Chemical insight into electron density and wave functions: software developments and applications to crystals, molecular complexes and materials science
L Bertini, F Cargnoni, C Gatti
Theoretical Chemistry Accounts 117, 847-884, 2007
552007
DFT Dissection of the Reduction Step in H2 Catalytic Production by [FeFe]-Hydrogenase-Inspired Models: Can the Bridging Hydride Become More Reactive Than …
G Filippi, F Arrigoni, L Bertini, L De Gioia, G Zampella
Inorganic Chemistry 54 (19), 9529-9542, 2015
512015
Functionally Relevant Interplay between the Fe4S4 Cluster and CN Ligands in the Active Site of [FeFe]-Hydrogenases
M Bruschi, C Greco, L Bertini, P Fantucci, U Ryde, LD Gioia
Journal of the American Chemical Society 132 (14), 4992-4993, 2010
442010
Photocatalytic hydrogen evolution driven by [FeFe] hydrogenase models tethered to fluorene and silafluorene sensitizers
R Goy, L Bertini, T Rudolph, S Lin, M Schulz, G Zampella, B Dietzek, ...
Chemistry–A European Journal 23 (2), 334-345, 2017
432017
A sterically stabilized Fe I–Fe I semi-rotated conformation of [FeFe] hydrogenase subsite model
R Goy, L Bertini, C Elleouet, H Görls, G Zampella, J Talarmin, L De Gioia, ...
Dalton transactions 44 (4), 1690-1699, 2015
402015
Borromean binding in with Yukawa potential: A nonadiabatic quantum Monte Carlo study
L Bertini, M Mella, D Bressanini, G Morosi
Physical Review A 69 (4), 042504, 2004
392004
Photophysical properties of S, Se and Te-substituted deoxyguanosines: Insight into their ability to act as chemotherapeutic agents
J Pirillo, G Mazzone, N Russo, L Bertini
Journal of Chemical Information and Modeling 57 (2), 234-242, 2017
372017
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