Detalhe da pesquisa
1.
Short and scalable synthesis of cynandione A.
Org Biomol Chem
; 21(9): 1868-1871, 2023 Mar 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-36762547
2.
Importance of Engineered and Learned Molecular Representations in Predicting Organic Reactivity, Selectivity, and Chemical Properties.
Acc Chem Res
; 54(4): 827-836, 2021 02 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-33534534
3.
Performance-advantaged ether diesel bioblendstock production by a priori design.
Proc Natl Acad Sci U S A
; 116(52): 26421-26430, 2019 Dec 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-31843899
4.
Associations of truncal body composition with cognitive status in patients with dementia.
Neurol Sci
; 42(1): 209-214, 2021 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-32617740
5.
Spirobifluorene-Based o-Carboranyl Compounds: Insights into the Rotational Effect of Carborane Cages on Photoluminescence.
Chemistry
; 26(2): 548-557, 2020 Jan 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-31657858
6.
Reactive Molecular Dynamics Simulations and Quantum Chemistry Calculations To Investigate Soot-Relevant Reaction Pathways for Hexylamine Isomers.
J Phys Chem A
; 124(21): 4290-4304, 2020 May 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-32364731
7.
Photophysical Properties of Spirobifluorene-Based o-Carboranyl Compounds Altered by Structurally Rotating the Carborane Cages.
Molecules
; 24(22)2019 Nov 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-31731632
8.
Effect of Planarity of Aromatic Rings Appended to o-Carborane on Photophysical Properties: A Series of o-Carboranyl Compounds Based on 2-Phenylpyridine- and 2-(Benzo[b]thiophen-2-yl)pyridine.
Molecules
; 24(1)2019 Jan 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-30621119
9.
Through-Space Ultrafast Photoinduced Electron Transfer Dynamics of a C70-Encapsulated Bisporphyrin Covalent Organic Polyhedron in a Low-Dielectric Medium.
J Am Chem Soc
; 139(12): 4286-4289, 2017 03 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-28287707
10.
Understanding Trends in Autoignition of Biofuels: Homologous Series of Oxygenated C5 Molecules.
J Phys Chem A
; 121(29): 5475-5486, 2017 Jul 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-28678503
11.
Quantum mechanical calculations suggest that lytic polysaccharide monooxygenases use a copper-oxyl, oxygen-rebound mechanism.
Proc Natl Acad Sci U S A
; 111(1): 149-54, 2014 Jan 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-24344312
12.
Body volume, body fatness, and metabolic syndrome.
Women Health
; 57(7): 822-836, 2017 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-27602799
13.
Structural and electronic snapshots during the transition from a Cu(II) to Cu(I) metal center of a lytic polysaccharide monooxygenase by X-ray photoreduction.
J Biol Chem
; 289(27): 18782-92, 2014 Jul 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-24828494
14.
Ethanol dehydration in HZSM-5 studied by density functional theory: evidence for a concerted process.
J Phys Chem A
; 119(15): 3604-14, 2015 Apr 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-25802969
15.
Carbocation Stability in H-ZSM5 at High Temperature.
J Phys Chem A
; 119(46): 11397-405, 2015 Nov 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-26501585
16.
Crystal structure and computational characterization of the lytic polysaccharide monooxygenase GH61D from the Basidiomycota fungus Phanerochaete chrysosporium.
J Biol Chem
; 288(18): 12828-39, 2013 May 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-23525113
17.
Crystal structure of glycoside hydrolase family 127 ß-l-arabinofuranosidase from Bifidobacterium longum.
Biochem Biophys Res Commun
; 447(1): 32-7, 2014 Apr 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-24680821
18.
Designing solvent systems using self-evolving solubility databases and graph neural networks.
Chem Sci
; 15(3): 923-939, 2024 Jan 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-38239675
19.
Accelerated chemical science with AI.
Digit Discov
; 3(1): 23-33, 2024 Jan 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-38239898
20.
Diels-Alder reactivities of strained and unstrained cycloalkenes with normal and inverse-electron-demand dienes: activation barriers and distortion/interaction analysis.
J Am Chem Soc
; 135(41): 15642-9, 2013 Oct 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-24044412