검색결과 : 27건
| No. | Article |
|---|---|
| 1 |
First-Principles Calculations on Ni,Fe-Containing Carbon Monoxide Dehydrogenases Reveal Key Stereoelectronic Features for Binding and Release of CO2 to/from the C-Cluster Breglia R, Arrigoni F, Sensi M, Greco C, Fantucci P, De Gioia L, Bruschi M Inorganic Chemistry, 60(1), 387, 2021 |
| 2 |
Reactivation of the Ready and Unready Oxidized States of [NiFe]-Hydrogenases: Mechanistic Insights from DFT Calculations Breglia R, Greco C, Fantucci P, De Gioia L, Bruschi M Inorganic Chemistry, 58(1), 279, 2019 |
| 3 |
A thiocarbonate sink on the enzymatic energy landscape of aerobic CO oxidation? Answers from DFT and QM/MM models of Mo-Cu CO-dehydrogenases Rovaletti A, Bruschi M, Moro G, Cosentino U, Ryde U, Greco C Journal of Catalysis, 372, 201, 2019 |
| 4 |
Generic Model for Lamellar Self-Assembly in Conjugated Polymers: Linking Mesoscopic Morphology and Charge Transport in P3HT Greco C, Melnyk A, Kremer K, Andrienko D, Daoulas KC Macromolecules, 52(3), 968, 2019 |
| 5 |
Interaction of the H-Cluster of FeFe Hydrogenase with Halides del Barrio M, Sensi M, Fradale L, Bruschi M, Greco C, de Gioia L, Bertini L, Fourmond V, Leger C Journal of the American Chemical Society, 140(16), 5485, 2018 |
| 6 |
Temperature Dependence of the Catalytic Two-versus Four-Electron Reduction of Dioxygen by a Hexanuclear Cobalt Complex Monte-Perez I, Kundu S, Chandra A, Craigo KE, Chernev P, Kuhlmann U, Dau H, Hildebrandt P, Greco C, Van Stappen C, Lehnert N, Ray K Journal of the American Chemical Society, 139(42), 15033, 2017 |
| 7 |
Reactivity of the Excited States of the H-Cluster of FeFe Hydrogenases Sensi M, Baffert C, Greco C, Caserta G, Gauquelin C, Saujet L, Fontecave M, Roy S, Artero V, Soucaille P, Meynial-Salles I, Bottin H, de Gioia L, Fourmond V, Leger C, Bertini L Journal of the American Chemical Society, 138(41), 13612, 2016 |
| 8 |
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; a DFT investigation Sicolo S, Bruschi M, Bertini L, Zampella G, Filippi G, Arrigoni F, De Gioia L, Greco C International Journal of Hydrogen Energy, 39(32), 18565, 2014 |
| 9 |
Redox Non-Innocence of a N-Heterocyclic Nitrenium Cation Bound to a Nickel-Cyclam Core Heims F, Pfaff FF, Abram SL, Farquhar ER, Bruschi M, Greco C, Ray K Journal of the American Chemical Society, 136(2), 582, 2014 |
| 10 |
Investigations on the Role of Proton-Coupled Electron Transfer in Hydrogen Activation by [FeFe]-Hydrogenase Mulder DW, Ratzloff MW, Bruschi M, Greco C, Koonce E, Peters JW, King PW Journal of the American Chemical Society, 136(43), 15394, 2014 |