Detalhe da pesquisa
1.
ENDOR Spectroscopy Reveals the "Free" 5'-Deoxyadenosyl Radical in a Radical SAM Enzyme Active Site Actually is Chaperoned by Close Interaction with the Methionine-Bound [4Fe-4S]2+ Cluster.
J Am Chem Soc
; 146(6): 3710-3720, 2024 Feb 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-38308759
2.
Color-Tunable Upconversion-Emission Switch Based on Cocrystal-to-Cocrystal Transformation.
J Am Chem Soc
; 145(3): 1855-1865, 2023 Jan 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-36642916
3.
Computational Description of Alkylated Iron-Sulfur Organometallic Clusters.
J Am Chem Soc
; 145(25): 13879-13887, 2023 Jun 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-37307050
4.
Cluster Amplitudes and Their Interplay with Self-Consistency in Density Functional Methods.
Chemphyschem
; 24(5): e202200592, 2023 Mar 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-36385578
5.
Cluster Amplitudes and Their Interplay with Self-Consistency in Density Functional Methods.
Chemphyschem
; 24(5): e202300081, 2023 Mar 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-36855330
6.
Slippery Paraelectric Transition-Metal Dichalcogenide Bilayers.
Nano Lett
; 22(19): 7984-7991, 2022 Oct 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-36190418
7.
Mechanism of Radical S-Adenosyl-l-methionine Adenosylation: Radical Intermediates and the Catalytic Competence of the 5'-Deoxyadenosyl Radical.
J Am Chem Soc
; 144(11): 5087-5098, 2022 03 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-35258967
8.
Atomic-Site-Specific Surface Valence-Band Structure from X-Ray Standing-Wave Excited Photoemission.
Phys Rev Lett
; 128(20): 206801, 2022 May 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-35657902
9.
Theoretical quantum model of two-dimensional propagating plexcitons.
J Chem Phys
; 157(12): 124103, 2022 Sep 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-36182408
10.
Density Functional Calculations Based on the Exponential Ansatz.
J Phys Chem A
; 125(39): 8751-8763, 2021 Oct 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-34582684
11.
Second Linear Response Theory and the Analytic Calculation of Excited-State Properties.
J Phys Chem A
; 125(4): 1093-1102, 2021 Feb 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-33497573
12.
Using Visible Light to Tune Boronic Acid-Ester Equilibria.
J Am Chem Soc
; 142(47): 19969-19979, 2020 11 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-33180484
13.
Embedding Methods for Quantum Chemistry: Applications from Materials to Life Sciences.
J Am Chem Soc
; 142(7): 3281-3295, 2020 02 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-31986877
14.
Efficient Modeling of Organic Chromophores for Entangled Two-Photon Absorption.
J Am Chem Soc
; 142(23): 10446-10458, 2020 06 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-32401020
15.
Thermodynamics and Mechanism of a Photocatalyzed Stereoselective [2 + 2] Cycloaddition on a CdSe Quantum Dot.
J Am Chem Soc
; 142(36): 15488-15495, 2020 09 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-32815721
16.
Domain Separated Density Functional Theory for Reaction Energy Barriers and Optical Excitations.
J Phys Chem A
; 124(28): 5954-5962, 2020 Jul 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-32543853
17.
Quantum Interference and Substantial Property Tuning in Conjugated Z-ortho-Regio-Resistive Organic (ZORRO) Junctions.
Nano Lett
; 19(12): 8956-8963, 2019 12 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-31682761
18.
Germanium Fluoride Nanocages as Optically Transparent n-Type Materials and Their Endohedral Metallofullerene Derivatives.
J Am Chem Soc
; 141(4): 1672-1684, 2019 Jan 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-30608154
19.
Domain Separation in Density Functional Theory.
J Phys Chem A
; 123(22): 4785-4795, 2019 Jun 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-31075203
20.
Photoinduced Anomalous Coulomb Blockade and the Role of Triplet States in Electron Transport through an Irradiated Molecular Transistor.
Nano Lett
; 18(8): 5015-5023, 2018 08 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-29995424