Projects per year
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.
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Dive into the research topics where Inorganometallic Catalyst Design Center is active. These topic labels come from the works of this organization's members. Together they form a unique fingerprint.
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Profiles
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Melanie F Burns
- Chemistry (Twin Cities) - Consultant/Analyst
- Nanoporous Materials Genome Center - Managing Director
- Inorganometallic Catalyst Design Center - Managing Director
Person: Executive, Administrative, and Managerial Staff, Academic Administrative Staff
Projects
- 1 Finished
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Energy Frontier Research Center For Inorganometallic Catalyst Design (DE-SC0012702)
Gagliardi, L., Cramer, C., Lu, C. C., Penn, L. (., Stein, A. & Truhlar, D. G.
United States Department of Energy
8/1/14 → 7/31/18
Project: Research project
Research output
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Influence of First and Second Coordination Environment on Structural Fe(II) Sites in MIL-101 for C-H Bond Activation in Methane
Vitillo, J. G., Lu, C. C., Cramer, C. J., Bhan, A. & Gagliardi, L., Jan 15 2021, In: ACS Catalysis. 11, 2, p. 579-589 11 p.Research output: Contribution to journal › Article › peer-review
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A New Mixing of Nonlocal Exchange and Nonlocal Correlation with Multiconfiguration Pair-Density Functional Theory
Pandharkar, R., Hermes, M. R., Truhlar, D. G. & Gagliardi, L., Dec 3 2020, In: Journal of Physical Chemistry Letters. 11, 23, p. 10158-10163 6 p.Research output: Contribution to journal › Article › peer-review
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Bioinspired Nickel Complexes Supported by an Iron Metalloligand
Prat, J. R., Gaggioli, C. A., Cammarota, R. C., Bill, E., Gagliardi, L. & Lu, C. C., Oct 5 2020, In: Inorganic chemistry. 59, 19, p. 14251-14262 12 p.Research output: Contribution to journal › Article › peer-review