Nonadiabatic Effects in the Molecular Oxidation of Subnanometric Cu5 Clusters-Reference-Cited by-同舟云学术

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Nonadiabatic Effects in the Molecular Oxidation of Subnanometric Cu5 Clusters

Published:2021-10-11 Issue:41 Volume:125 Page:9143-9150
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Mitrushchenkov Alexander O.¹,Zanchet Alexandre²,Hauser Andreas W.³^ORCID,de Lara-Castells María Pilar²^ORCID

Affiliation:

1. MSME, UPEC, CNRS, Université Gustave Eiffel, F-77454, Marne-la-Vallée, France

2. Instituto de Física Fundamental (AbinitSim Unit), CSIC, Serrano 123, 28006 Madrid, Spain

3. Institute of Experimental Physics, Graz University of Technology, Petersgasse 16, 8010 Graz, Austria

Funder

Austrian Science Fund

Spanish Agencia Estatal de Investigaci??n (AEI) and the Fond Europeo de Desarrollo Regional

Spanish Agencia Estatal de Investigaci??n (AEI) and the Fondo Europeo de Desarrollo Regional (FEDER, UE)

Agencia Estatal de Investigaci??n (AEI) and the Fondo Europeo de Desarrollo Regional (FEDER, UE)

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.1c07271

Reference49 articles.

1. Periodic Hartree–Fock study of the adsorption of molecular oxygen on a reduced TiO2 (110) surface

2. Theoretical study of the interaction of molecular oxygen with a reduced TiO2 surface

3. Multi- and single-reference methods for the analysis of multi-state peroxidation of enolates

4. Copper–Oxygen Complexes Revisited: Structures, Spectroscopy, and Reactivity

5. Catalysis by the Non-Heme Iron(II) Histone Demethylase PHF8 Involves Iron Center Rearrangement and Conformational Modulation of Substrate Orientation

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1. An Ab Initio Journey toward the Molecular‐Level Understanding and Predictability of Subnanometric Metal Clusters;Small Structures;2024-06-30

2. A thorough mechanistic study of ethanol, acetaldehyde, and ethylene adsorption on Cu-MOR via DFT analysis;Physical Chemistry Chemical Physics;2024

3. High‐level ab initio evidence of bipyramidal Cu₅ clusters as fluxional Jahn‐Teller molecules;ChemPhysChem;2023-08-15

4. Carbon vacancy-assisted stabilization of individual Cu₅ clusters on graphene. Insights from ab initio molecular dynamics;Physical Chemistry Chemical Physics;2023

5. First-principles modelling of the new generation of subnanometric metal clusters: Recent case studies;Journal of Colloid and Interface Science;2022-04

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