Detalhe da pesquisa
1.
Statistically Derived Proxy Potentials Accelerate Geometry Optimization of Crystal Structures.
Chemphyschem
; 25(12): e202400254, 2024 Jun 17.
Artigo
Inglês
| MEDLINE | ID: mdl-38567647
2.
Inferring energy-composition relationships with Bayesian optimization enhances exploration of inorganic materials.
J Chem Phys
; 160(5)2024 Feb 07.
Artigo
Inglês
| MEDLINE | ID: mdl-38341704
3.
Machine-Learning Prediction of Metal-Organic Framework Guest Accessibility from Linker and Metal Chemistry.
Angew Chem Int Ed Engl
; 61(9): e202114573, 2022 Feb 21.
Artigo
Inglês
| MEDLINE | ID: mdl-34878706
4.
Exploring the Role of Cluster Formation in UiO Family Hf Metal-Organic Frameworks with in Situ X-ray Pair Distribution Function Analysis.
J Am Chem Soc
; 143(47): 19668-19683, 2021 Dec 01.
Artigo
Inglês
| MEDLINE | ID: mdl-34784470
5.
High-Throughput Discovery of a Rhombohedral Twelve-Connected Zirconium-Based Metal-Organic Framework with Ordered Terephthalate and Fumarate Linkers.
Angew Chem Int Ed Engl
; 60(52): 26939-26946, 2021 Dec 20.
Artigo
Inglês
| MEDLINE | ID: mdl-34519411
6.
Discovery of a Low Thermal Conductivity Oxide Guided by Probe Structure Prediction and Machine Learning.
Angew Chem Int Ed Engl
; 60(30): 16457-16465, 2021 Jul 19.
Artigo
Inglês
| MEDLINE | ID: mdl-33951284
7.
When Do Anisotropic Magnetic Susceptibilities Lead to Large NMR Shifts? Exploring Particle Shape Effects in the Battery Electrode Material LiFePO4.
J Am Chem Soc
; 141(33): 13089-13100, 2019 Aug 21.
Artigo
Inglês
| MEDLINE | ID: mdl-31271033
8.
Unlocking the key to persistent luminescence with X-ray absorption spectroscopy: a local structure investigation of Cr-substituted spinel-type phosphors.
Phys Chem Chem Phys
; 21(35): 19349-19358, 2019 Sep 11.
Artigo
Inglês
| MEDLINE | ID: mdl-31453990
9.
Control of Metal-Organic Framework Crystallization by Metastable Intermediate Pre-equilibrium Species.
Angew Chem Int Ed Engl
; 58(2): 566-571, 2019 Jan 08.
Artigo
Inglês
| MEDLINE | ID: mdl-30440102
10.
Mixed X-Site Formate-Hypophosphite Hybrid Perovskites.
Chemistry
; 24(44): 11309-11313, 2018 Aug 06.
Artigo
Inglês
| MEDLINE | ID: mdl-29920832
11.
Searching for Missing Binary Equiatomic Phases: Complex Crystal Chemistry in the Hf-In System.
Inorg Chem
; 57(13): 7966-7974, 2018 Jul 02.
Artigo
Inglês
| MEDLINE | ID: mdl-29926728
12.
Spectroscopic characterization of lithium thiophosphates by XPS and XAS - a model to help monitor interfacial reactions in all-solid-state batteries.
Phys Chem Chem Phys
; 20(30): 20088-20095, 2018 Aug 01.
Artigo
Inglês
| MEDLINE | ID: mdl-30024004
13.
Metal-Organic Nanosheets Formed via Defect-Mediated Transformation of a Hafnium Metal-Organic Framework.
J Am Chem Soc
; 139(15): 5397-5404, 2017 04 19.
Artigo
Inglês
| MEDLINE | ID: mdl-28343394
14.
In situ studies of materials for high temperature CO2 capture and storage.
Faraday Discuss
; 192: 217-240, 2016 10 20.
Artigo
Inglês
| MEDLINE | ID: mdl-27472014
15.
Gd12Co5.3Bi and Gd12Co5Bi, Crystalline Doppelgänger with Low Thermal Conductivities.
Inorg Chem
; 55(13): 6625-33, 2016 Jul 05.
Artigo
Inglês
| MEDLINE | ID: mdl-27299657
16.
A high throughput synthetic workflow for solid state synthesis of oxides.
Chem Sci
; 15(7): 2640-2647, 2024 Feb 14.
Artigo
Inglês
| MEDLINE | ID: mdl-38362407
17.
Evolution of Short-Range Order of Amorphous GeTe Upon Structural Relaxation Obtained by TEM Diffractometry and RMC Methods.
Adv Sci (Weinh)
; 10(36): e2304323, 2023 Dec.
Artigo
Inglês
| MEDLINE | ID: mdl-37908162
18.
XANES and XPS investigations of the local structure and final-state effects in amorphous metal silicates: (ZrO2)(x)(TiO2)(y)(SiO2)(1-x-y).
Phys Chem Chem Phys
; 14(1): 205-17, 2012 Jan 07.
Artigo
Inglês
| MEDLINE | ID: mdl-22081233
19.
Cation Disorder and Large Tetragonal Supercell Ordering in the Li-Rich Argyrodite Li7Zn0.5SiS6.
Chem Mater
; 34(9): 4073-4087, 2022 May 10.
Artigo
Inglês
| MEDLINE | ID: mdl-35573111
20.
On the oxidation of EuFe4Sb12 and EuRu4Sb12.
Inorg Chem
; 50(13): 6263-8, 2011 Jul 04.
Artigo
Inglês
| MEDLINE | ID: mdl-21650163