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Author

  • Chris Cramer
2015

Erratum: Uranyl-Peroxide Nanocapsules in Aqueous Solution: Force Field Development and First Applications (J. Phys. Chem. C (2014) 118:42 (24730-24740) DOI:10.1021/jp504147s)

Miró, P., Vlaisavljevich, B., Dzubak, A. L., Hu, S., Burns, P. C., Cramer, C., Spezia, R. & Gagliardi, L., Jul 9 2015, In : Journal of Physical Chemistry C. 119, 27, 1 p.

Research output: Contribution to journalComment/debate

1 Scopus citations

Excited State Absorption from Real-Time Time-Dependent Density Functional Theory

Fischer, S. A., Cramer, C. & Govind, N., Sep 8 2015, In : Journal of Chemical Theory and Computation. 11, 9, p. 4294-4303 10 p.

Research output: Contribution to journalArticle

36 Scopus citations

Influence of Coherent Tunneling and Incoherent Hopping on the Charge Transfer Mechanism in Linear Donor-Bridge-Acceptor Systems

Li, G., Govind, N., Ratner, M. A., Cramer, C. J. & Gagliardi, L., Dec 17 2015, In : Journal of Physical Chemistry Letters. 6, 24, p. 4889-4897 9 p.

Research output: Contribution to journalArticle

22 Scopus citations

Length-Dependent Nanotransport and Charge Hopping Bottlenecks in Long Thiophene-Containing π-Conjugated Molecular Wires

Smith, C. E., Odoh, S. O., Ghosh, S., Gagliardi, L., Cramer, C. J. & Frisbie, C. D., Dec 23 2015, In : Journal of the American Chemical Society. 137, 50, p. 15732-15741 10 p.

Research output: Contribution to journalArticle

48 Scopus citations

Mechanically Activated, Catalyst-Free Polyhydroxyurethane Vitrimers

Fortman, D. J., Brutman, J. P., Cramer, C. J., Hillmyer, M. A. & Dichtel, W. R., Nov 11 2015, In : Journal of the American Chemical Society. 137, 44, p. 14019-14022 4 p.

Research output: Contribution to journalArticle

235 Scopus citations

Mechanism of the Intramolecular Hexadehydro-Diels-Alder Reaction

Marell, D. J., Furan, L. R., Woods, B. P., Lei, X., Bendelsmith, A. J., Cramer, C., Hoye, T. R. & Kuwata, K. T., Aug 13 2015, In : Journal of Organic Chemistry. 80, 23, p. 11744-11754 11 p.

Research output: Contribution to journalArticle

34 Scopus citations

Mechanisms and Factors Controlling Photoisomerization Equilibria, Ligand Exchange, and Water Oxidation Catalysis Capabilities of Mononuclear Ruthenium(II) Complexes

Hirahara, M., Hakamata, T., League, A. B., Ertem, M. Z., Takahashi, K., Nagai, S., Inaba, K., Yamazaki, H., Saito, K., Yui, T., Cramer, C. & Yagi, M., Aug 1 2015, In : European Journal of Inorganic Chemistry. 2015, 23, p. 3892-3903 12 p.

Research output: Contribution to journalArticle

7 Scopus citations

Metal-Organic Framework Nodes as Nearly Ideal Supports for Molecular Catalysts: NU-1000- and UiO-66-Supported Iridium Complexes

Yang, D., Odoh, S. O., Wang, T. C., Farha, O. K., Hupp, J. T., Cramer, C. J., Gagliardi, L. & Gates, B. C., Jun 17 2015, In : Journal of the American Chemical Society. 137, 23, p. 7391-7396 6 p.

Research output: Contribution to journalArticle

143 Scopus citations

Optimization and prediction of the electron-nuclear dipolar and scalar interaction in 1H and 13C liquid state dynamic nuclear polarization

Wang, X., Isley, W., Salido, S. I., Sun, Z., Song, L., Tsai, K. H., Cramer, C. & Dorn, H. C., Jul 29 2015, In : Chemical Science. 6, 11, p. 6482-6495 14 p.

Research output: Contribution to journalArticle

16 Scopus citations

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

131 Scopus citations

Rate-Determining Attack on Substrate Precedes Rieske Cluster Oxidation during Cis-Dihydroxylation by Benzoate Dioxygenase

Rivard, B. S., Rogers, M., Marell, D. J., Neibergall, M. B., Chakrabarty, S., Cramer, C. & Lipscomb, J. D., Aug 4 2015, In : Biochemistry. 54, 30, p. 4652-4664 13 p.

Research output: Contribution to journalArticle

22 Scopus citations

Single-Site Organozirconium Catalyst Embedded in a Metal-Organic Framework

Klet, R. C., Tussupbayev, S., Borycz, J., Gallagher, J. R., Stalzer, M. M., Miller, J. T., Gagliardi, L., Hupp, J. T., Marks, T. J., Cramer, C. J., Delferro, M. & Farha, O. K., Dec 23 2015, In : Journal of the American Chemical Society. 137, 50, p. 15680-15683 4 p.

Research output: Contribution to journalArticle

60 Scopus citations

Targeted Single-Site MOF Node Modification: Trivalent Metal Loading via Atomic Layer Deposition

Kim, I. S., Borycz, J., Platero-Prats, A. E., Tussupbayev, S., Wang, T. C., Farha, O. K., Hupp, J. T., Gagliardi, L., Chapman, K. W., Cramer, C. J. & Martinson, A. B. F., Jul 14 2015, In : Chemistry of Materials. 27, 13, p. 4772-4778 7 p.

Research output: Contribution to journalArticle

71 Scopus citations

Theoretical calculation of reduction potentials

Ho, J., Coote, M. L., Cramer, C. & Truhlar, D. G., Jan 1 2015, Organic Electrochemistry, Fifth Edition: Revised and Expanded. CRC Press, p. 229-260 32 p.

Research output: Chapter in Book/Report/Conference proceedingChapter

27 Scopus citations