Stabilities, Electronic Structures, and Bonding Properties of 20-Electron Transition Metal Complexes (Cp)

Journal

The journal of physical chemistry. A
ISSN: 1520-5215
Titre abrégé: J Phys Chem A
Pays: United States
ID NLM: 9890903

Informations de publication

Date de publication:
28 Jan 2021
Historique:
pubmed: 20 1 2021
medline: 20 1 2021
entrez: 19 1 2021
Statut: ppublish

Résumé

First-principles calculations have been carried out for the 20-electron transition metal complexes (Cp)

Identifiants

DOI: 10.1021/acs.jpca.0c07402 PMID: 33464900
pubmed: 33464900
doi: 10.1021/acs.jpca.0c07402
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

721-730

Auteurs

Song Xu (S)

MOE Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed Matter, School of Physics, Xi'an Jiaotong University, Xi'an 710049, Shaanxi, China.

Mengyang Li (M)

MOE Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed Matter, School of Physics, Xi'an Jiaotong University, Xi'an 710049, Shaanxi, China.

Gerui Pei (G)

MOE Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed Matter, School of Physics, Xi'an Jiaotong University, Xi'an 710049, Shaanxi, China.

Pei Zhao (P)

Research Center for Computational Science, Institute for Molecular Science, Nishigonaka 38, Myodaiji, Okazaki 444-8585, Japan.
Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Kyoto 615-8520, Japan.
ORCID: 0000-0002-8088-6141

Xintian Zhao (X)

MOE Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed Matter, School of Physics, Xi'an Jiaotong University, Xi'an 710049, Shaanxi, China.

Guanchen Wu (G)

MOE Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed Matter, School of Physics, Xi'an Jiaotong University, Xi'an 710049, Shaanxi, China.

Chuncai Kong (C)

MOE Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed Matter, School of Physics, Xi'an Jiaotong University, Xi'an 710049, Shaanxi, China.
ORCID: 0000-0002-7144-4501

Zhimao Yang (Z)

MOE Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed Matter, School of Physics, Xi'an Jiaotong University, Xi'an 710049, Shaanxi, China.

Masahiro Ehara (M)

Research Center for Computational Science, Institute for Molecular Science, Nishigonaka 38, Myodaiji, Okazaki 444-8585, Japan.
Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Kyoto 615-8520, Japan.
ORCID: 0000-0002-2185-0077

Tao Yang (T)

MOE Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed Matter, School of Physics, Xi'an Jiaotong University, Xi'an 710049, Shaanxi, China.
ORCID: 0000-0003-1634-6025

Classifications MeSH