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
347 2004 Chemical information from the source function C Gatti, F Cargnoni, L Bertini
Journal of computational chemistry 24 (4), 422-436, 2003
196 2003 Interstitial Zn Atoms Do the Trick in Thermoelectric Zinc Antimonide, Zn4 Sb3 : 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
174 2004 Thermoelectrics Handbook: Macro to Nano H Scherrer, DM Rowe, T Kajikawa, K Matsubara, JP Issi, HJ Goldsmid, ...
CRC press, 2018
123 2018 Insights into the Mechanism of Electrocatalytic Hydrogen Evolution Mediated by Fe2 (S2 C3 H6 )(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
117 2007 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
111 2003 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
101 2005 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
95 2018 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
84 2011 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 A8 Ga … C Gatti, L Bertini, NP Blake, BB Iversen
Chemistry–A European Journal 9 (18), 4556-4568, 2003
83 2003 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
80 2012 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
62 2004 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
61 2004 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
55 2007 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
51 2015 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
45 2017 Functionally Relevant Interplay between the Fe4 S4 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
44 2010 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
40 2015 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
40 2004 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
38 2017