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

Publications for 2016 Christopher J. Cramer

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


  1. Yang, D.; Odoh, S. O.; Borycz, J.; Wang, T. C.; Farha, O. K.; Hupp, J. T.; Cramer, C. J.; Gagliardi, L.; Gates, B. C. "Tuning Zr6 MOF Nodes as Catalyst Supports: Site Densities and Electron-Donor Properties Influence Molecular Iridium Complexes as Ethylene Conversion Catalysts" ACS Catal. 2016, 6, 235 (doi:10.1021/acscatal.5b02243). (abstract)

  2. Dhar, D.; Yee, G. M.; Spaeth, A. D.; Boyce, D. W.; Zhang, H.; Dereli, B.; Cramer, C. J.; Tolman, W. B. "Perturbing the Copper(III)-Hydroxide Unit Through Ligand Structural Variation" J. Am. Chem. Soc. 2016, 138, 356 (doi:10.1021/jacs.5b10985). (abstract)

  3. Fischer, S. A.; Ueltschi, T. W.; El-Khoury, P. Z.; Mifflin, A. L.; Hess, W. P.; Wang, H.-F.; Cramer, C. J.; Govind, N. "Infrared and Raman Spectroscopy from ab initio Molecular Dynamics and Static Normal Mode Analysis: The C-H Region of DMSO as a Case Study" J. Phys. Chem. B 2016, 120, 1429 (doi:10.1021/acs.jpcb.5b03323). (abstract)

  4. Marlier, E. E.; Macaranas, J. A.; Marell, D. J.; Dunbar, C.; Johnson, M. A.; DePorre, Y.; Miranda, M. O.; Neisen, B. D.; Cramer, C. J.; Hillmyer, M. A.; Tolman, W. B. "Mechanistic Studies of ε-Caprolactone Polymerization by (salen)AlOR Complexes and a Predictive Model for Cyclic Ester Polymerizations" ACS Catal. 2016, 6, 1215 (doi:10.1021/acscatal.5b02607). (abstract)

  5. Li, Z.; Schweitzer, N. M.; League, A. B.; Bernales, V.; Peters, A. W.; Getsoian, A.; Wang, T. C.; Miller, J. T.; Vjunov, A.; Fulton, J. L.; Lercher, J. A.; Cramer, C. J.; Gagliardi, L.; Hupp, J. T.; Farha, O. K. "A Sintering-Resistant Single-Site Nickel Catalyst Supported by Metal-Organic Framework" J. Am. Chem. Soc. 2016, 138, 1977 (doi:10.1021/jacs.5b12515). (abstract)

  6. Platero-Prats, A. E.; Mavrandonakis, A.; Gallington, L. C.; Liu, Y.; Hupp, J. T.; Farha, O.; Cramer, C. J.; Chapman, K. W. "Structural transitions of the metal-oxide nodes within metal-organic frameworks: On the local structures of NU-1000 and UiO-66" J. Am. Chem. Soc. 2016, 138, 4178 (doi:10.1021/jacs.6b00069). (abstract)

  7. Roeser, S.; Bozoglian, F.; Richmond, C. J.; League, A. B.; Ertem, M. Z.; Francàs, L.; Miró, P.; Benet-Buchholz, J.; Cramer, C. J.; Llobet, A. "Water Oxidation Catalysis with Ligand Substituted Ru-bpp-type Complexes" Catal. Sci. Tech. 2016, 6, 5088 (doi:10.1039/c6cy00197a). (abstract)

  8. Fischer, S. A.; Cramer, C. J.; Govind, N. "Excited State Absorption from Real-Time Time-Dependent Density Functional Theory: Optical Limiting in Zinc Phthalocyanine" J. Phys. Chem. Lett. 2016, 7, 1387 (doi:10.1021/acs.jpclett.6b00282). (abstract)

  9. Taherinia, D.; Smith, C. E.; Ghosh, S.; Odoh, S.; Balhorn, L.; Gagliardi, L.; Cramer, C. J.; Frisbie, C. D. "Charge Transport in 4 nm Molecular Wires with Interrupted Conjugation: Combined Experimental and Computational Evidence for Thermally-Assisted Polaron Tunneling" ACS Nano 2016, 10, 4372 (doi:10.1021/acsnano.5b08126). (abstract)

  10. Ortuño, M. A.; Dereli, B.; Cramer, C. J. "Mechanism of Pd-Catalyzed Decarbonylation of Biomass-Derived Hydrocinnamic Acid to Styrene Following Activation as an Anhydride" Inorg. Chem. 2016, 55, 4124 (doi:10.1021/acs.inorgchem.5b02664). (abstract)

  11. Isley, W. C., III; Urick, A.; Pomerantz, W. C. K.; Cramer, C. J. "Prediction of 19F NMR Chemical Shifts in Labeled Proteins" Mol. Pharmaceutics 2016, 13, 2376 (doi:10.1021/acs.molpharmaceut.6b00137). (abstract)

  12. Chiu, H.-C.; Pearce, A. J.; Dunn, P. L.; Cramer, C. J.; Tonks, I. A. "β-oxo-δ-diimine Ni Complexes: A Comparison of Tautomeric Active Species in Ethylene Polymerization Catalysis" Organometallics 2016, 35, 2076 (doi:10.1021/acs.organomet.6b00256). (abstract)

  13. John, A.; Miranda, M. O.; Ding, K.; Dereli, B.; Ortuño, M. A.; LaPointe, A. M.; Coates, G. W.; Cramer, C. J.; Tolman, W. B. "Earth-Abundant Metal Catalysts for the Dehydrodecarbonylation of Carboxylic Acids to Olefins" Organometallics 2016, 35, 2391 (doi:10.1021/acs.organomet.6b00415). (abstract)

  14. Lownsbury, J. M.; Santos-López, I. A.; Zhang, W.; Campbell, C. T.; Yu, H. S.; Liu, W.-G.; Cramer, C. J.; Truhlar, D. G.; Wang, T.; Hupp, J. T.; Farha, O. K. "Calcium Vapor Adsorption on the Metal-Organic Framework NU-1000: Structure and Energetics" J. Phys. Chem. C 2016, 120, 16850 (doi:10.1021/acs.jpcc.6b05707). (abstract)

  15. Klein, J. E. M. N.; Dereli, B.; Que, L., Jr. ; Cramer, C. J. "Why Metal-Oxos React with Dihydroanthracene and Cyclohexadiene at Comparable Rates, Despite Having Different C–H Bond Strengths. A Computational Study" Chem. Commun. 2016, 52, 10509 (doi:10.1039/c6cc05395e). (abstract)

  16. Chen, T.; Lei, X.; Demir, H.; Cramer, C. J.; Gagliardi, L.; Guy, S. J. "MOF: Creating an Educational Game on Nanotechnology Through Simulation-driven Optimization" Proceedings of the 9th International Conference on Motion in Games, ACM: New York, 2016, 39 (doi:10.1145/2994258.2994267). (abstract)

  17. Bernales, V.; League, A. B.; Li, Z.; Schweitzer, N. M.; Peters, A. W.; Carlson, R. K.; Hupp, J. T.; Cramer, C. J.; Farha, O. K.; Gagliardi, L. "Computationally-Guided Discovery of Catalytic Cobalt-Decorated Metal-Organic Framework for Ethylene Dimerization" J. Phys. Chem. C 2016, 120, 23576 (doi:10.1021/acs.jpcc.6b07362). (abstract)

  18. Kim, I. S.; Farha, O. K.; Hupp, J. T.; Gagliardi, L.; Chapman, K. W.; Cramer, C. J.; Martinson, A. B. F. "A Precise and Scalable Post-Modification of Mesoporous Metal-Organic Framework NU-1000 via Atomic Layer Deposition" ECS Trans. 2016, 75, 93 (doi:10.1149/07506.0093ecst). (abstract)

  19. Ortuño, M. A.; Bernales, V.; Gagliardi, L.; Cramer, C. J. "Computational Study of First-Row Transition Metals Supported on MOF NU-1000 for Catalytic Acceptorless Alcohol Dehydrogenation" J. Phys. Chem. C 2016, 120, 24697 (doi:10.1021/acs.jpcc.6b06381). (abstract)

  20. Raya-Barón, Á.; Ortuño, M. A.; Oña-Burgos, P.; Rodríguez-Diéguez, A.; Langer, R.; Cramer, C. J.; Kuzu, I.; Fernández, I. "Efficient Hydrosilylation of Acetophenone with a New Anthraquinonic Amide-based Iron Precatalyst" Organometallics 2016, 35, 4083 (doi:10.1021/acs.organomet.6b00765) (abstract)

  21. Noh, H.; Cui, Y.; Peters, A. W.; Pahls, D.; Ortuño, M. A.; Vermeulen, N. A.; Cramer, C. J.; Gagliardi, L.; Hupp, J. T.; Farha, O. K. "An Exceptionally Stable Metal–Organic Framework Supported–Molybdenum(VI) Oxide Catalyst for Cyclohexene Epoxidation" J. Am. Chem. Soc. 2016, 138, 14720 (doi:10.1021/jacs.6b08898). (abstract)

  22. Yang, D.; Bernales, V.; Islamoglu, T.; Farha, O. K.; Hupp, J. T.; Cramer, C. J.; Gagliardi, L.; Gates, B. C. "Tuning the Surface Chemistry of Metal Organic Framework Nodes: Proton Topology of the Metal-oxide-like Zr6 nodes of UiO-66 and NU-1000" J. Am. Chem. Soc. 2016, 138, 15189 (doi:10.1021/jacs.6b08273). (abstract)

  23. Gimbert-Suriñach, C.; Moonshiram, D.; Francàs, L.; Planas, N.; Bernales, V.; Bozoglian, F.; Guda, A.; Mognon, L.; López, I.; Asmaul Hoque, M.; Gagliardi, L.; Cramer, C. J.; Llobet, A. "Structural and Spectroscopic Characterization of Reaction Intermediates Involved in a Dinuclear Co-Hbpp Water Oxidation Catalyst" J. Am. Chem. Soc. 2016, 138, 15291 (doi:10.1021/jacs.6b08532). (abstract)


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