Detalhe da pesquisa
1.
Accelerated discovery of CO2 electrocatalysts using active machine learning.
Nature
; 581(7807): 178-183, 2020 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-32405017
2.
Glycerol binding at the narrow channel of photosystem II stabilizes the low-spin S2 state of the oxygen-evolving complex.
Photosynth Res
; 152(2): 167-175, 2022 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-35322325
3.
Learning-in-Templates Enables Accelerated Discovery and Synthesis of New Stable Double Perovskites.
J Am Chem Soc
; 141(8): 3682-3690, 2019 02 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-30701964
4.
Relative stability of the S2 isomers of the oxygen evolving complex of photosystem II.
Photosynth Res
; 141(3): 331-341, 2019 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-30941614
5.
The O2-Evolving Complex of Photosystem II: Recent Insights from Quantum Mechanics/Molecular Mechanics (QM/MM), Extended X-ray Absorption Fine Structure (EXAFS), and Femtosecond X-ray Crystallography Data.
Acc Chem Res
; 50(1): 41-48, 2017 01 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-28001034
6.
Erratum: Role of Tensorial Electronic Friction in Energy Transfer at Metal Surfaces [Phys. Rev. Lett. 116, 217601 (2016)].
Phys Rev Lett
; 119(6): 069901, 2017 Aug 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-28949608
7.
S3 State of the O2-Evolving Complex of Photosystem II: Insights from QM/MM, EXAFS, and Femtosecond X-ray Diffraction.
Biochemistry
; 55(7): 981-4, 2016 Feb 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-26849148
8.
Ammonia Binding in the Second Coordination Sphere of the Oxygen-Evolving Complex of Photosystem II.
Biochemistry
; 55(31): 4432-6, 2016 08 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-27433995
9.
Fundamental Role of Oxygen Stoichiometry in Controlling the Band Gap and Reactivity of Cupric Oxide Nanosheets.
J Am Chem Soc
; 138(34): 10978-85, 2016 08 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-27454546
10.
Role of Tensorial Electronic Friction in Energy Transfer at Metal Surfaces.
Phys Rev Lett
; 116(21): 217601, 2016 May 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-27284673
11.
Analysis of the radiation-damage-free X-ray structure of photosystem II in light of EXAFS and QM/MM data.
Biochemistry
; 54(9): 1713-6, 2015 Mar 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-25710258
12.
NH3 Binding to the S2 State of the O2-Evolving Complex of Photosystem II: Analogue to H2O Binding during the S2 â S3 Transition.
Biochemistry
; 54(38): 5783-6, 2015 Sep 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-26378340
13.
Structural changes in the oxygen-evolving complex of photosystem II induced by the S1 to S2 transition: A combined XRD and QM/MM study.
Biochemistry
; 53(44): 6860-2, 2014 Nov 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-25347729
14.
Theoretical prediction of S-H bond rupture in methanethiol upon interaction with gold.
J Phys Chem A
; 116(29): 7686-93, 2012 Jul 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-22594777
15.
Machine Learning Accelerates Discovery of Optimal Colloidal Quantum Dot Synthesis.
ACS Nano
; 13(10): 11122-11128, 2019 Oct 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-31539477
16.
Pulsed axial epitaxy of colloidal quantum dots in nanowires enables facet-selective passivation.
Nat Commun
; 9(1): 4947, 2018 11 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-30470752
17.
Color-stable highly luminescent sky-blue perovskite light-emitting diodes.
Nat Commun
; 9(1): 3541, 2018 08 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-30166537
18.
Insights into Photosystem II from Isomorphous Difference Fourier Maps of Femtosecond X-ray Diffraction Data and Quantum Mechanics/Molecular Mechanics Structural Models.
ACS Energy Lett
; 2(2): 397-407, 2017 Feb 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-28217747
19.
Crystallographic Data Support the Carousel Mechanism of Water Supply to the Oxygen-Evolving Complex of Photosystem II.
ACS Energy Lett
; 2(10): 2299-2306, 2017 Oct 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-29057331
20.
Characterization of ammonia binding to the second coordination shell of the oxygen-evolving complex of photosystem II.
Dalton Trans
; 46(46): 16089-16095, 2017 Nov 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-29120469