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  • 24 Similar Profiles
Solvation Chemical Compounds
Density functional theory Chemical Compounds
Free energy Chemical Compounds
Metals Chemical Compounds
solvation Physics & Astronomy
Ligands Chemical Compounds
Electronic structure Chemical Compounds
Copper Chemical Compounds

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Projects 2006 2022

Research Output 1984 2019

7 Citations (Scopus)

Architectural Control of Isosorbide-Based Polyethers via Ring-Opening Polymerization

Saxon, D. J., Nasiri, M., Mandal, M., Maduskar, S., Dauenhauer, P. J., Cramer, C. J., Lapointe, A. M. & Reineke, T. M., Apr 3 2019, In : Journal of the American Chemical Society. 141, 13, p. 5107-5111 5 p.

Research output: Contribution to journalArticle

Open Access
Ring opening polymerization
1 Citation (Scopus)
Open Access
Wave functions
Excited states
Absorption spectra
wave functions
4 Citations (Scopus)

Beyond Density Functional Theory: The Multiconfigurational Approach to Model Heterogeneous Catalysis

Gaggioli, C. A., Stoneburner, S. J., Cramer, C. & Gagliardi, L., Sep 6 2019, In : ACS Catalysis. 9, 9, p. 8481-8502 22 p.

Research output: Contribution to journalReview article

Density functional theory
Electronic structure
Transition metals
Shells (structures)

Carboxylate Structural Effects on the Properties and Proton-Coupled Electron Transfer Reactivity of [CuO2CR]2+ Cores

Elwell, C. E., Mandal, M., Bouchey, C. J., Que, L., Cramer, C. J. & Tolman, W. B., Dec 2 2019, In : Inorganic Chemistry. 58, 23, p. 15872-15879 8 p.

Research output: Contribution to journalArticle

electron transfer
4 Citations (Scopus)

Computational Prediction and Experimental Verification of ϵ-Caprolactone Ring-Opening Polymerization Activity by an Aluminum Complex of an Indolide/Schiff-Base Ligand

Mandal, M., Luke, A. M., Dereli, B., Elwell, C. E., Reineke, T. M., Tolman, W. B. & Cramer, C. J., Feb 1 2019, In : ACS Catalysis. 9, 2, p. 885-889 5 p.

Research output: Contribution to journalArticle

Schiff Bases
Ring opening polymerization


Supporting Data for “Why So Slow? Mechanistic Insights from Studies of a Poor Catalyst for Polymerization of ε-Caprolactone”

Cramer, C., Mandal, M., Mitchell, L. A., Neisen, B. D., Stasiw, D. E., Tolman, W., Data Repository for the University of Minnesota, 2017