Inorganometallic Catalyst Design Center

  • 207 Pleasant Street SE, Smith Hall

    55455 Minneapolis

    United States

Organization profile

Organization profile

The Inorganometallic Catalyst Design Center (ICDC) is an Energy Frontier Research Center funded by the United States Department of Energy. The ICDC is devoted to computationally-guided discovery of a new class of energy-science-relevant catalytic materials and the underlying structure-function relationships that will guide further catalyst discovery. The catalysts determined in the ICDC are intended to be used for natural gas conversion from alkanes to alcohols.

Fingerprint The fingerprint is based on mining the text of the scientific documents related to the associated persons. Based on that an index of weighted terms is created, which defines the key subjects of research unit

phosphine Chemical Compounds
Density functional theory Chemical Compounds
Metals Chemical Compounds
Charge distribution Chemical Compounds
Transition metals Chemical Compounds
charge distribution Physics & Astronomy
Catalyst selectivity Chemical Compounds
Dimerization Chemical Compounds

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Projects 2014 2018

Research Output 2014 2018

3 Citations
Catalyst selectivity
Transition metals
Catalyst activity
65 Citations

Catalytic Silylation of Dinitrogen with a Dicobalt Complex

Siedschlag, R. B., Bernales, V., Vogiatzis, K. D., Planas, N., Clouston, L. J., Bill, E., Gagliardi, L. & Lu, C. C., Apr 15 2015, In : Journal of the American Chemical Society. 137, 14, p. 4638-4641 4 p.

Research output: Contribution to journalArticle

Reforming reactions
Density functional theory
12 Citations

Density Functional Theory of the Water Splitting Reaction on Fe(0): Comparison of Local and Nonlocal Correlation Functionals

Bao, J. L., Yu, H. S., Duanmu, K., Makeev, M. A., Xu, X. & Truhlar, D. G., Apr 3 2015, In : ACS Catalysis. 5, 4, p. 2070-2080 11 p.

Research output: Contribution to journalArticle

Density functional theory
Transition metals
Catalyst selectivity