Computational Studies of Synthetically Relevant Homogeneous Organometallic Catalysis Involving Ni, Pd, Ir, and Rh: An Overview of Commonly Employed DFT Methods and Mechanistic Insights-Reference-Cited by-同舟云学术

Computational Studies of Synthetically Relevant Homogeneous Organometallic Catalysis Involving Ni, Pd, Ir, and Rh: An Overview of Commonly Employed DFT Methods and Mechanistic Insights

Published:2015-07-24 Issue:17 Volume:115 Page:9532-9586
ISSN:0009-2665
Container-title:Chemical Reviews
language:en
Short-container-title:Chem. Rev.

Author:

Sperger Theresa¹,Sanhueza Italo A.¹²,Kalvet Indrek¹,Schoenebeck Franziska¹

Affiliation:

1. Institute of Organic Chemistry, RWTH Aachen University, Landoltweg 1, 52074 Aachen, Germany

2. Laboratory of Organic Chemistry, ETH Zürich, Vladimir-Prelog-Weg 3, 8093 Zürich, Switzerland

Funder

Eidgenössische Technische Hochschule Zürich

Ministerium für Innovation, Wissenschaft und Forschung des Landes Nordrhein-Westfalen

Publisher

American Chemical Society (ACS)

Subject

General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.chemrev.5b00163

Reference590 articles.

1. Transition metal catalysis by density functional theory and density functional theory/molecular mechanics

2. Combining Experimental and Computational Studies to Understand and Predict Reactivities of Relevance to Homogeneous Catalysis

3. Computational organic chemistry

4. The Pseudopotential Approximation in Electronic Structure Theory

5. Relativistic Pseudopotentials: Their Development and Scope of Applications

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