1986-1995 1996-2000 2001-2005 2006-2010 2011-2015 2016 2017 2018

Publications for 2018 Christopher J. Cramer

Numbering is chronological. Each number links to an abstract of the publication.

  1. Kim, I. S.; Li, Z.; Zheng, J.; Platero-Prats, A.; Mavrandonakis, A.; Pellizzeri, S.; Ferrandon, M.; Vjunov, A.; Gallington, L. C.; Webber, T.; Vermeulen, N. A.; Penn, R. L.; Getman, R. B.; Cramer, C. J.; Chapman, K. W.; Camaioni, D. M.; Fulton, J. L.; Lercher, J. A.; Farha, O. K.; Hupp, J. T.; Martinson, A. B. F. "Sinter-resistant Platinum Catalyst Supported by Metal-Organic Framework" Angew. Chem. Int. Ed. 2018, 57, 909 (doi:10.1002/anie.201708092). (abstract)

  2. Bernales, V.; Ortuño, M. A.; Truhlar, D. G.; Cramer, C. J.; Gagliardi, L. "Computational Design of Functionalized Metal–Organic Framework Nodes for Catalysis" ACS Cent. Sci. 2018, 4, 5 (doi:10.1021/acscentsci.7b00500). (abstract)

  3. Klein, J. E. M. N.; Draksharapu, A.; Shokri, A.; Cramer, C. J.; Que, L., Jr. "On the Lewis Acidity of the Oxoiron(IV) Unit in a Tetramethylcyclam Complex" Chem. Eur. J. 2018, 24, 5373 (doi:10.1002/chem.201704977). (abstract)

  4. Ye, J.; Gagliardi, L.; Cramer, C. J.; Truhlar, D. G. "Computational Screening of MOF Supported Transition Metal Catalysts for Activity and Selectivity in Ethylene Dimerization" J. Catal. 2018, 360, 160 (doi:10.1016/j.jcat.2017.12.007). (abstract)

  5. Dereli, B.; Ortuño, M. A.; Cramer, C. J. "Accurate Ionization Energies for Mononuclear Copper Complexes Remain A Challenge for Density Functional Theory" ChemPhysChem 2018, 19, 959 (doi:10.1002/cphc.201701334). (abstract)

  6. Islamoglu, T.; Ortuño, M. A.; Proussaloglou, E.; Howarth, A. J.; Vermeulen, N. A.; Atilgan, A.; Cramer, C. J.; Farha, O. K. "Presence vs. proximity: the role of pendant amines in the catalytic hydrolysis of a nerve agent simulant" Angew. Chem. Int. Ed. 2018, 57, 1949 (doi:10.1002/anie.201712645). (abstract)

  7. Ortuño, M. A.; Dereli, B.; Delle Chiaie, K. R.; Biernesser, A. B. ; Byers, J. A.; Cramer, C. J. "Computational Insight into the Role of Alkoxide Initiator and Oxidation State in Ring Opening Polymerization of ε-Caprolactone Catalyzed by Bis(imino)pyridine Iron Complexes" Inorg. Chem. 2018, 57, 2064 (doi:10.1021/acs.inorgchem.7b02964). (abstract)

  8. Purvis, L. J.; Gu, X.; Ghosh, S.; Zhang, Z.; Cramer, C. J.; Douglas, C. J. "Synthesis and Characterization of Electron Deficient Asymmetrically Substituted Diarylindenotetracenes" J. Org. Chem. 2018, 83, 1828 (doi:10.1021/acs.joc.7b02756). (abstract)

  9. Yang, D.; Ortuño, M. A.; Bernales, V.; Cramer, C. J.; Gagliardi, L.; Gates, B. C. "Structure and dynamics of Zr6O8 metal–organic framework node surfaces probed with ethanol dehydration as a catalytic test reaction" J. Am. Chem. Soc. 2018, 140, 3751 (doi:10.1021/jacs.7b13330). (abstract)

  10. Macaranas, J. A.; Luke, A. M.; Mandal, M.; Neisen, B. D.; Marell, D. J.; Cramer, C. J.; Tolman, W. B. "Sterically induced ligand framework distortion effects on catalytic cyclic ester polymerizations" Inorg. Chem. 2018, 57, 3451 (doi:10.1021/acs.inorgchem.8b00250). (abstract)

  11. Simons, M. C.; Ortuño, M. A.; Bernales, V.; Gaggioli, C. A.; Cramer, C. J.; Bhan, A.; Gagliardi, L. "C-H Bond activation on bimetallic two-atom Co-M oxide clusters deposited on Zr-based MOF nodes: Effects of doping at the molecular level" ACS Catal. 2018, 8, 2864 (doi:10.1021/acscatal.8b00012). (abstract)

  12. Goswami, S.; Ray, D.; Otake, K.-i.; Kung, C.-W.; Garibay, S. J.; Islamoglu, T.; Cui, Y.; Cramer, C. J.; Farha, O. K.; Hupp, J. T. "A Porous, Electrically Conductive Hexa-Zirconium(IV) Metal-Organic Framework" Chem. Sci. 2018, 9, 4477 (doi:10.1039/c8sc00961a). (abstract)

  13. Ye, J.; Cammarota, R. C.; Xie, J.; Vollmer, M. V.; Truhlar, D. G.; Cramer, C. J.; Lu, C. C.; Gagliardi, L. "Rationalizing the Reactivity of Bimetallic Molecular Catalysts for CO2 Hydrogenation" ACS Catal. 2018, 8, 4955 (doi:10.1021/acscatal.8b00803). (abstract)

  14. Momeni, M. R.; Cramer, C. J. "Dual Role of Water in Heterogeneous Catalytic Hydrolysis of Sarin by Zirconium-based Metal-organic Frameworks" ACS Appl. Mater. Interfaces 2018, 10, 18435 (doi:10.1021/acsami.8b03544). (abstract)

  15. Packard, M. H.; Ott, A. A.; Ortuño, M. A.; Johnson, A.; Suding, V. P.; Cramer, C. J.; Topczewski, J. J. "Evidence for a Sigmatropic and an Ionic Pathway in the Winstein Rearrangement" J. Org. Chem. in press (doi:10.1021/acs.joc.8b00961). (abstract)

  16. Momeni, M. R.; Cramer, C. J. "Structural Characterization of Pristine and Defective [Zr123-O)83-OH)82-OH)6]18+ Double-Node Metal-organic Framework and Predicted Applications for Single-Site Catalytic Hydrolysis of Sarin" Chem. Mater. 2018, 30, 4432 (doi:10.1021/acs.chemmater.8b01913) (abstract)

  17. Ghosh, S.; Verma, P.; Cramer, C. J.; Gagliardi, L.; Truhlar, D. G. "Combining Wave Function Methods with Density Functional Theory for Excited States" Chem. Rev. in press (doi:10.1021/acs.chemrev.8b00193) (abstract)

  18. Dereli, B.; Momeni, M. R.; Cramer, C. J. "Density Functional Modeling of Ligand Effects on Electronic Structure and C-H Bond Activation Activity of Copper(III)-Hydroxide Compounds" Inorg. Chem. in press (abstract)

1986-1995 1996-2000 2001-2005 2006-2010 2011-2015 2016 2017 2018