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1.
Mechanistic differences between methanol and dimethyl ether in zeolite-catalyzed hydrocarbon synthesis.
Proc Natl Acad Sci U S A
; 119(4)2022 01 25.
Article
in English
| MEDLINE | ID: mdl-35046020
2.
Structure and Chemical Reactivity of Y-Stabilized ZrO2 Surfaces: Importance for the Water-Gas Shift Reaction.
Angew Chem Int Ed Engl
; : e202404775, 2024 May 17.
Article
in English
| MEDLINE | ID: mdl-38758087
3.
Templated encapsulation of platinum-based catalysts promotes high-temperature stability to 1,100 °C.
Nat Mater
; 21(11): 1290-1297, 2022 11.
Article
in English
| MEDLINE | ID: mdl-36280703
4.
Preparation and coherent manipulation of pure quantum states of a single molecular ion.
Nature
; 545(7653): 203-207, 2017 05 10.
Article
in English
| MEDLINE | ID: mdl-28492258
5.
Rhodium Single-Atom Catalyst Design through Oxide Support Modulation for Selective Gas-Phase Ethylene Hydroformylation.
Angew Chem Int Ed Engl
; 62(1): e202214048, 2023 Jan 02.
Article
in English
| MEDLINE | ID: mdl-36315420
6.
Prospects of Heterogeneous Hydroformylation with Supported Single Atom Catalysts.
J Am Chem Soc
; 142(11): 5087-5096, 2020 Mar 18.
Article
in English
| MEDLINE | ID: mdl-32141745
7.
Metal-Specific Reactivity in Single-Atom Catalysts: CO Oxidation on 4d and 5d Transition Metals Atomically Dispersed on MgO.
J Am Chem Soc
; 142(35): 14890-14902, 2020 Sep 02.
Article
in English
| MEDLINE | ID: mdl-32786735
8.
Vibrational Frequencies of Cerium-Oxide-Bound CO: A Challenge for Conventional DFT Methods.
Phys Rev Lett
; 125(25): 256101, 2020 Dec 18.
Article
in English
| MEDLINE | ID: mdl-33416353
9.
The transformation of cuboctahedral to icosahedral nanoparticles: atomic structure and dynamics.
Phys Chem Chem Phys
; 22(23): 12939-12945, 2020 Jun 21.
Article
in English
| MEDLINE | ID: mdl-32478375
10.
Identification of the Reaction Sequence of the MTO Initiation Mechanism Using Ab Initio-Based Kinetics.
J Am Chem Soc
; 141(14): 5908-5915, 2019 Apr 10.
Article
in English
| MEDLINE | ID: mdl-30920821
11.
Dynamical Observation and Detailed Description of Catalysts under Strong Metal-Support Interaction.
Nano Lett
; 16(7): 4528-34, 2016 07 13.
Article
in English
| MEDLINE | ID: mdl-27280326
12.
Rendering Photoreactivity to Ceria: The Role of Defects.
Angew Chem Int Ed Engl
; 56(45): 14301-14305, 2017 11 06.
Article
in English
| MEDLINE | ID: mdl-28859239
13.
Alcohol amination with ammonia catalyzed by an acridine-based ruthenium pincer complex: a mechanistic study.
J Am Chem Soc
; 136(16): 5923-9, 2014 Apr 23.
Article
in English
| MEDLINE | ID: mdl-24684701
14.
Anharmonic Correction to Free Energy Barriers from DFT-Based Molecular Dynamics Using Constrained Thermodynamic Integration.
J Chem Theory Comput
; 19(9): 2455-2468, 2023 May 09.
Article
in English
| MEDLINE | ID: mdl-37043693
15.
Metal-Support Interactions in Heterogeneous Catalysis: DFT Calculations on the Interaction of Copper Nanoparticles with Magnesium Oxide.
ACS Omega
; 8(11): 10591-10599, 2023 Mar 21.
Article
in English
| MEDLINE | ID: mdl-36969458
16.
The first catalytic synthesis of an acrylate from CO2 and an alkene-a rational approach.
Chemistry
; 18(44): 14017-25, 2012 Oct 29.
Article
in English
| MEDLINE | ID: mdl-22996190
17.
Toward Computing Accurate Free Energies in Heterogeneous Catalysis: a Case Study for Adsorbed Isobutene in H-ZSM-5.
ACS Phys Chem Au
; 2(5): 399-406, 2022 Sep 28.
Article
in English
| MEDLINE | ID: mdl-36855690
18.
Competition between reverse water gas shift reaction and methanol synthesis from CO2: influence of copper particle size.
Nanoscale
; 14(37): 13551-13560, 2022 Sep 29.
Article
in English
| MEDLINE | ID: mdl-36000554
19.
Anharmonic Correction to Adsorption Free Energy from DFT-Based MD Using Thermodynamic Integration.
J Chem Theory Comput
; 17(2): 1155-1169, 2021 Feb 09.
Article
in English
| MEDLINE | ID: mdl-33482059
20.
A Mild One-Pot Reduction of Phosphine(V) Oxides Affording Phosphines(III) and Their Metal Catalysts.
Organometallics
; 40(6): 693-701, 2021 Mar 22.
Article
in English
| MEDLINE | ID: mdl-33867621