Recent computational studies on transition-metal carbon-hydrogen bond activation of alkanes-Reference-Cited by-同舟云学术

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Recent computational studies on transition-metal carbon-hydrogen bond activation of alkanes

Published:2018-02-28 Issue:9 Volume:118 Page:e25605
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int J Quantum Chem

Author:

Guan Jia¹,Zarić Snežana D²,Brothers Edward N.²,Hall Michael B.¹^ORCID

Affiliation:

1. Department of Chemistry and Laboratory for Molecular Simulation; Texas A&M University; College Station Texas 77843-3257 USA

2. Science Program; Texas A&M University at Qatar; Doha Qatar

Funder

Qatar National Research Fund under NPRP

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/qua.25605/fullpdf

Reference141 articles.

1. Theoretical Studies on Reactions of Transition-Metal Complexes

2. The molecular and electronic structure of carbon–hydrogen bond activation and transition metal assisted hydrogen transfer

3. C—H Bond Activation in Transition Metal Species from a Computational Perspective

4. Overview of the Mechanistic Work on the Concerted Metallation–Deprotonation Pathway

5. Mechanisms of C–H bond activation: rich synergy between computation and experiment

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1. Doping Efects on Ethane/Ethylene Dehydrogenation Catalyzed by Pt₂X Nanoclusters;ChemPhysChem;2024-05-02

2. Tetrylenes: Electronic Structure, Stability, Reactivity, and Ligand Properties—A Comparative DFT Study;Organometallics;2021-10-07

3. Molecular Rearrangements;Organic Reaction Mechanisms Series;2021-08-27

4. Insight into conformationally-dependent binding of 1-n-alkyl-3-methylimidazolium cations to porphyrin molecules using quantum mechanical calculations;Physical Chemistry Chemical Physics;2019

5. Applications of Computational Chemistry to Selected Problems of Transition-Metal Catalysis in Biological and Nonbiological Systems;Transition Metals in Coordination Environments;2019

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