Thermochemistry of Tungsten—3p Elements for Density Functional Theory, Caveat Lector!

Author:

Moulder Catherine A.1ORCID,Kafle Kristina1,Zhou Christopher X.1ORCID,Cundari Thomas R.1ORCID

Affiliation:

1. Department of Chemistry, Center for Advanced Scientific Computing and Modeling (CASCaM), University of North Texas, 1155 Union Circle, #305070, Denton, Texas 76203-5017, United States

Funder

Division of Graduate Education

University of North Texas

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Reference76 articles.

1. Transition metal-hydrogen and metal-carbon bond strengths: the keys to catalysis

2. Computational Ligand Descriptors for Catalyst Design

3. Computational Analysis of Transition Metal-Terminal Boride Complexes

4. A DFT Survey of the Effects of d‐Electron Count and Metal Identity on the Activation and Functionalization of C−H Bonds for Mid to Late Transition Metals

5. Haxel, G. B.; Hedrick, J. B.; Orris, G. J. Rare Earth Elements — Critical Resources for High Technology. U.S. Geological Survey Fact Sheet, 2002; Vol. 87, p 4, https://pubs.usgs.gov/fs/2002/fs087-02/fs087-02.pdf (accessed April 4, 2019).

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