Nanoporous Materials Genome Center

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    55455 Minneapolis

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Research Output

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Review article
2018

Combining Wave Function Methods with Density Functional Theory for Excited States

Ghosh, S., Verma, P., Cramer, C., Gagliardi, L. & Truhlar, D. G., Aug 8 2018, In : Chemical Reviews. 118, 15, p. 7249-7292 44 p.

Research output: Contribution to journalReview article

39 Scopus citations
2017

Covalency and chemical bonding in transition metal complexes: An ab initio based ligand field perspective

Singh, S. K., Eng, J., Atanasov, M. & Neese, F., Aug 1 2017, In : Coordination Chemistry Reviews. 344, p. 2-25 24 p.

Research output: Contribution to journalReview article

39 Scopus citations

Hydrogen Sulfide Capture: From Absorption in Polar Liquids to Oxide, Zeolite, and Metal-Organic Framework Adsorbents and Membranes

Shah, M. S., Tsapatsis, M. & Siepmann, J. I., Jul 26 2017, In : Chemical Reviews. 117, 14, p. 9755-9803 49 p.

Research output: Contribution to journalReview article

109 Scopus citations
2015

Quantum-Chemical Characterization of the Properties and Reactivities of Metal-Organic Frameworks

Odoh, S. O., Cramer, C. J., Truhlar, D. G. & Gagliardi, L., Jan 1 2015, In : Chemical Reviews. 115, 12, p. 6051-6111 61 p.

Research output: Contribution to journalReview article

129 Scopus citations