Detalhe da pesquisa
1.
Speciation of Lanthanide Metal Ion Dopants in Microcrystalline All-Inorganic Halide Perovskite CsPbCl3.
J Am Chem Soc
; 146(14): 9554-9563, 2024 Apr 10.
Artigo
Inglês
| MEDLINE | ID: mdl-38548624
2.
De Novo Crystal Structure Determination from Machine Learned Chemical Shifts.
J Am Chem Soc
; 144(16): 7215-7223, 2022 04 27.
Artigo
Inglês
| MEDLINE | ID: mdl-35416661
3.
Graph-convolutional neural networks for (QM)ML/MM molecular dynamics simulations.
Phys Chem Chem Phys
; 24(37): 22497-22512, 2022 Sep 28.
Artigo
Inglês
| MEDLINE | ID: mdl-36106790
4.
Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional 19F Solid-State NMR Spectroscopy.
J Am Chem Soc
; 142(3): 1645-1654, 2020 Jan 22.
Artigo
Inglês
| MEDLINE | ID: mdl-31913617
5.
Rapid Structure Determination of Molecular Solids Using Chemical Shifts Directed by Unambiguous Prior Constraints.
J Am Chem Soc
; 141(42): 16624-16634, 2019 10 23.
Artigo
Inglês
| MEDLINE | ID: mdl-31117663
6.
A Bayesian approach to NMR crystal structure determination.
Phys Chem Chem Phys
; 21(42): 23385-23400, 2019 Nov 14.
Artigo
Inglês
| MEDLINE | ID: mdl-31631196
7.
Phase Segregation in Potassium-Doped Lead Halide Perovskites from 39K Solid-State NMR at 21.1 T.
J Am Chem Soc
; 140(23): 7232-7238, 2018 06 13.
Artigo
Inglês
| MEDLINE | ID: mdl-29779379
8.
Formation of Stable Mixed Guanidinium-Methylammonium Phases with Exceptionally Long Carrier Lifetimes for High-Efficiency Lead Iodide-Based Perovskite Photovoltaics.
J Am Chem Soc
; 140(9): 3345-3351, 2018 03 07.
Artigo
Inglês
| MEDLINE | ID: mdl-29429335
9.
Positional Variance in NMR Crystallography.
J Am Chem Soc
; 139(7): 2573-2576, 2017 02 22.
Artigo
Inglês
| MEDLINE | ID: mdl-28146348
10.
Phase Segregation in Cs-, Rb- and K-Doped Mixed-Cation (MA)x(FA)1-xPbI3 Hybrid Perovskites from Solid-State NMR.
J Am Chem Soc
; 139(40): 14173-14180, 2017 10 11.
Artigo
Inglês
| MEDLINE | ID: mdl-28892374
11.
Cation Dynamics in Mixed-Cation (MA)x(FA)1-xPbI3 Hybrid Perovskites from Solid-State NMR.
J Am Chem Soc
; 139(29): 10055-10061, 2017 07 26.
Artigo
Inglês
| MEDLINE | ID: mdl-28641413
12.
Artificial intelligence for natural product drug discovery.
Nat Rev Drug Discov
; 22(11): 895-916, 2023 11.
Artigo
Inglês
| MEDLINE | ID: mdl-37697042
13.
A Machine Learning Model of Chemical Shifts for Chemically and Structurally Diverse Molecular Solids.
J Phys Chem C Nanomater Interfaces
; 126(39): 16710-16720, 2022 Oct 06.
Artigo
Inglês
| MEDLINE | ID: mdl-36237276
14.
Structure determination of an amorphous drug through large-scale NMR predictions.
Nat Commun
; 12(1): 2964, 2021 05 20.
Artigo
Inglês
| MEDLINE | ID: mdl-34016980
15.
Ba-induced phase segregation and band gap reduction in mixed-halide inorganic perovskite solar cells.
Nat Commun
; 10(1): 4686, 2019 10 15.
Artigo
Inglês
| MEDLINE | ID: mdl-31615978
16.
Chemical shifts in molecular solids by machine learning.
Nat Commun
; 9(1): 4501, 2018 10 29.
Artigo
Inglês
| MEDLINE | ID: mdl-30374021
17.
Probing Protein Dynamics Using Multifield Variable Temperature NMR Relaxation and Molecular Dynamics Simulation.
J Phys Chem B
; 122(42): 9697-9702, 2018 10 25.
Artigo
Inglês
| MEDLINE | ID: mdl-30277399