Detalhe da pesquisa
1.
Kinetic model for reversible radical transfer in ribonucleotide reductase.
Proc Natl Acad Sci U S A
; 119(25): e2202022119, 2022 06 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-35714287
2.
Direct Evidence for a Sequential Electron Transfer-Proton Transfer Mechanism in the PCET Reduction of a Metal Hydroxide Catalyst.
J Am Chem Soc
; 146(3): 1742-1747, 2024 Jan 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-38193695
3.
Hydrogen on Colloidal Gold Nanoparticles.
J Am Chem Soc
; 2024 May 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-38743444
4.
Detecting Interplay of Chirality, Water, and Interfaces for Elucidating Biological Functions.
Acc Chem Res
; 56(12): 1494-1504, 2023 06 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-37163574
5.
Theoretical Modeling of Electrochemical Proton-Coupled Electron Transfer.
Chem Rev
; 122(12): 10599-10650, 2022 06 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-35230812
6.
Electrocatalysis in Alkaline Media and Alkaline Membrane-Based Energy Technologies.
Chem Rev
; 122(6): 6117-6321, 2022 03 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-35133808
7.
Theoretical basis for interpreting heterodyne chirality-selective sum frequency generation spectra of water.
J Chem Phys
; 160(5)2024 Feb 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-38341693
8.
QM/MM Modeling of Vibrational Polariton Induced Energy Transfer and Chemical Dynamics.
J Am Chem Soc
; 145(1): 377-384, 2023 01 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-36574620
9.
Nuclear-Electronic Orbital Quantum Dynamics of Plasmon-Driven H2 Photodissociation.
J Am Chem Soc
; 145(33): 18210-18214, 2023 Aug 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-37555733
10.
Direct Proton-Coupled Electron Transfer between Interfacial Tyrosines in Ribonucleotide Reductase.
J Am Chem Soc
; 145(8): 4784-4790, 2023 03 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-36802630
11.
Electro-inductive Effect Dominates Vibrational Frequency Shifts of Conjugated Probes on Gold Electrodes.
J Am Chem Soc
; 145(41): 22548-22554, 2023 Oct 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-37795975
12.
Inductive Effect Alone Cannot Explain Lewis Adduct Formation and Dissociation at Electrode Interfaces.
J Am Chem Soc
; 145(10): 5759-5768, 2023 Mar 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-36862607
13.
General Kinetic Model for pH Dependence of Proton-Coupled Electron Transfer: Application to an Electrochemical Water Oxidation System.
J Am Chem Soc
; 145(35): 19321-19332, 2023 Sep 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-37611195
14.
Computational Insights into the Mechanism of Nitric Oxide Generation from S-Nitrosoglutathione Catalyzed by a Copper Metal-Organic Framework.
J Am Chem Soc
; 145(18): 10285-10294, 2023 05 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-37126424
15.
First-Principles Approach for Coupled Quantum Dynamics of Electrons and Protons in Heterogeneous Systems.
Phys Rev Lett
; 131(23): 238002, 2023 Dec 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-38134781
16.
Assessing Implicit and Explicit Polarizable Solvation Models for Nuclear-Electronic Orbital Systems: Quantum Proton Polarization and Solvation Energetics.
J Phys Chem A
; 127(44): 9322-9333, 2023 Nov 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-37889479
17.
Spectroscopic Characterization of the Divalent Metal Docking Motif to Isolated Cyanobenzoate: Direct Observation of Tridentate Binding to ortho-Cyanobenzoate and Implications for the CN Response.
J Phys Chem A
; 127(6): 1413-1421, 2023 Feb 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-36748882
18.
Electronic Born-Oppenheimer approximation in nuclear-electronic orbital dynamics.
J Chem Phys
; 158(11): 114118, 2023 Mar 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-36948810
19.
Formation of an unusual glutamine tautomer in a blue light using flavin photocycle characterizes the light-adapted state.
Proc Natl Acad Sci U S A
; 117(43): 26626-26632, 2020 10 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-33037153
20.
Mirror-image antiparallel ß-sheets organize water molecules into superstructures of opposite chirality.
Proc Natl Acad Sci U S A
; 117(52): 32902-32909, 2020 12 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-33318168