검색결과 : 47건
| 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 |
FeMo Heterobimetallic Dithiolate Complexes: Investigation of Their Electron Transfer Chemistry and Reactivity toward Acids, a Density Functional Theory Rationalization Bouchard S, Bruschi M, De Gioia L, Le Roy C, Petillon FY, Schollhammer P, Talarmin J Inorganic Chemistry, 58(1), 679, 2019 |
| 4 |
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 |
| 5 |
Redox Potentials of Small Inorganic Radicals and Hexa-Aquo Complexes of First-Row Transition Metals in Water: A DFT Study Based on the Grand Canonical Ensemble Arrigoni F, Breglia R, De Gioia L, Bruschi M, Fantucci P Journal of Physical Chemistry A, 123(32), 6948, 2019 |
| 6 |
Catalytic Mechanism of Fungal Lytic Polysaccharide Monooxygenases Investigated by First-Principles Calculations Bertini L, Breglia R, Lambrughi M, Fantucci P, De Gioia L, Borsari M, Sola M, Bortolotti CA, Bruschi M Inorganic Chemistry, 57(1), 86, 2018 |
| 7 |
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 |
| 8 |
Online Quantification of Criegee Intermediates of alpha-Pinene Ozonolysis by Stabilization with Spin Traps and Proton-Transfer Reaction Mass Spectrometry Detection Giorio C, Campbell SJ, Bruschi M, Tampiere F, Barbon A, Toffoletti A, Tapparo A, Paijens C, Wedlake AJ, Grice P, Howe DJ, Kalberer M Journal of the American Chemical Society, 139(11), 3999, 2017 |
| 9 |
Intestinal epithelial tuft cells initiate type 2 mucosal immunity to helminth parasites Gerbe F, Sidot E, Smyth DJ, Ohmoto M, Matsumoto I, Dardalhon V, Cesses P, Garnier L, Pouzolles M, Brulin B, Bruschi M, Harcus Y, Zimmermann VS, Taylor N, Maizels RM, Jay P Nature, 529(7585), 226, 2016 |
| 10 |
A New FeMo Complex as a Model of Heterobimetallic Assemblies in Natural Systems: Mossbauer and Density Functional Theory Investigations Bouchard S, Clemancey M, Blondin G, Bruschi M, Charreteur K, De Gioia L, Le Roy C, Petillon FY, Schollhammer P, Talarmin J Inorganic Chemistry, 53(21), 11345, 2014 |