Detalhe da pesquisa
1.
Reactivity Factors in Catalytic Methanogenesis and Their Tuning upon Coenzyme F430 Biosynthesis.
J Am Chem Soc
; 145(16): 9039-9051, 2023 04 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-37043414
2.
Experimental Evidence and Mechanistic Description of the Phenolic H-Transfer to the Cu2O2 Active Site of oxy-Tyrosinase.
J Am Chem Soc
; 145(42): 22866-22870, 2023 10 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-37844210
3.
H-Atom Abstraction Reactivity through the Lens of Asynchronicity and Frustration with Their Counteracting Effects on Barriers.
Inorg Chem
; 61(47): 18811-18822, 2022 Nov 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-36371687
4.
Beyond the Classical Contributions to Exchange Coupling in Binuclear Transition Metal Complexes.
J Phys Chem A
; 125(11): 2276-2283, 2021 Mar 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-33724818
5.
Beyond the classical thermodynamic contributions to hydrogen atom abstraction reactivity.
Proc Natl Acad Sci U S A
; 115(44): E10287-E10294, 2018 10 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-30254163
6.
Understanding and Predicting Post H-Atom Abstraction Selectivity through Reactive Mode Composition Factor Analysis.
J Am Chem Soc
; 142(8): 3947-3958, 2020 02 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-32000494
7.
Proton-Electron Transfer to the Active Site Is Essential for the Reaction Mechanism of Soluble Δ9-Desaturase.
J Am Chem Soc
; 142(23): 10412-10423, 2020 06 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-32406236
8.
Nuclear Resonance Vibrational Spectroscopic Definition of the Facial Triad FeIVâO Intermediate in Taurine Dioxygenase: Evaluation of Structural Contributions to Hydrogen Atom Abstraction.
J Am Chem Soc
; 142(44): 18886-18896, 2020 11 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-33103886
9.
Multireference Ground and Excited State Electronic Structures of Free- versus Iron Porphyrin-Carbenes.
Inorg Chem
; 59(13): 8707-8715, 2020 Jul 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-32510941
10.
Reactive mode composition factor analysis of transition states: the case of coupled electron-proton transfers.
Phys Chem Chem Phys
; 21(45): 24912-24918, 2019 Dec 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-31690920
11.
Elucidation of the Fe(IV)=O intermediate in the catalytic cycle of the halogenase SyrB2.
Nature
; 499(7458): 320-3, 2013 Jul 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-23868262
12.
M-O Bonding Beyond the Oxo Wall: Spectroscopy and Reactivity of Cobalt(III)-Oxyl and Cobalt(III)-Oxo Complexes.
Angew Chem Int Ed Engl
; 58(28): 9619-9624, 2019 Jul 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-31083766
13.
NRVS Studies of the Peroxide Shunt Intermediate in a Rieske Dioxygenase and Its Relation to the Native FeII O2 Reaction.
J Am Chem Soc
; 140(16): 5544-5559, 2018 04 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-29618204
14.
Nuclear Resonance Vibrational Spectroscopy Definition of O2 Intermediates in an Extradiol Dioxygenase: Correlation to Crystallography and Reactivity.
J Am Chem Soc
; 140(48): 16495-16513, 2018 12 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-30418018
15.
Detection of Indistinct Fe-N Stretching Bands in Iron(V) Nitrides by Photodissociation Spectroscopy.
Chemistry
; 24(20): 5078-5081, 2018 Apr 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-29314358
16.
Experimentally Calibrated Analysis of the Electronic Structure of CuO+ : Implications for Reactivity.
Angew Chem Int Ed Engl
; 57(52): 17053-17057, 2018 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-30427565
17.
Frontier Molecular Orbital Contributions to Chlorination versus Hydroxylation Selectivity in the Non-Heme Iron Halogenase SyrB2.
J Am Chem Soc
; 139(6): 2396-2407, 2017 02 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-28095695
18.
Chasing the Evasive FeâO Stretch and the Spin State of the Iron(IV)-Oxo Complexes by Photodissociation Spectroscopy.
J Am Chem Soc
; 139(7): 2757-2765, 2017 02 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-28125220
19.
Peroxide Activation for Electrophilic Reactivity by the Binuclear Non-heme Iron Enzyme AurF.
J Am Chem Soc
; 139(20): 7062-7070, 2017 05 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-28457126
20.
Spin-State-Controlled Photodissociation of Iron(III) Azide to an Iron(V) Nitride Complex.
Angew Chem Int Ed Engl
; 56(45): 14057-14060, 2017 11 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-28898526