If you made any changes in Pure, your changes will be visible here soon.

Fingerprint The Fingerprint is created by mining the titles and abstracts of the person's research outputs and projects/funding awards to create an index of weighted terms from discipline-specific thesauri.

  • 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

Network Recent external collaboration on country level. Dive into details by clicking on the dots.

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
Isosorbide
Polyethers
Ring opening polymerization
Polymerization
Sublimation
1 Citation (Scopus)
Open Access
Hamiltonians
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

Catalysis
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

carboxylates
Protons
electron transfer
reactivity
Ligands
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
Transesterification
Ring opening polymerization
Aluminum
Screening

Datasets

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

Dataset