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

Publications for 2017 Christopher J. Cramer

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


  1. Li, Z.; Peters, A. W.; Bernales, V.; Ortuño, M. A.; Schweitzer, N. M.; DeStefano, M. R.; Gallington, L. C.; Platero-Prats, A. E.; Chapman, K. W.; Cramer, C. J.; Gagliardi, L.; Hupp, J. T.; Farha, O. K. "Metal–Organic Framework Supported Cobalt Catalysts for the Oxidative Dehydrogenation of Propane at Low Temperature" ACS Cent. Sci. 2017, 3, 31 (doi:10.1021/acscentsci.6b00290). (abstract)

  2. Cramer, C. J.; Johnson, J. L.; Kamel, A. "Prediction of Mass Spectral Response Factors from Predicted Chemometric Data for Druglike Molecules" J. Am. Soc. Mass Spectrom. 2017, 28, 285 (doi:10.1007/s13361-016-1536-4). (abstract)

  3. Zhou, A.; Prakash, J.; Rohde, G. T.; Klein, J. E. M. N.; Kleespies, S. T.; Draksharapu, A.; Fan, R.; Guo, Y.; Cramer, C. J.; Que, L., Jr. "The Two Faces of Tetramethylcyclam in Iron Chemistry: Distinct Fe–O–M Complexes Derived from [FeIV(Oanti/syn)(TMC)]2+ Isomers" Inorg. Chem. 2017, 56, 518 (doi:10.1021/acs.inorgchem.6b02417). (abstract)

  4. Stasiw, D. E.; Mandal, M.; Neisen, B. D.; Mitchell, L. M.; Cramer, C. J.; Tolman, W. B. "Why So Slow? Mechanistic Insights from Studies of a Poor Catalyst for Polymerization of ε-Caprolactone" Inorg. Chem. 2017, 56, 725 (doi:10.1021/acs.inorgchem.6b02849). (abstract)

  5. Qu, S.; Cramer, C. J. "Mechanistic Study of Cp*CoIII/RhIII-Catalyzed Directed C-H Functionalization with Diazo Compounds" J. Org. Chem. 2017, 82, 1195 (doi:10.1021/acs.joc.6b02962). (abstract)

  6. Ogden, W. A.; Ghosh, S.; Bruzek, M. J.; McGarry, K. A.; Balhorn, L.; Young, V., Jr.; Purvis, L. J.; Wegwerth, S. E.; Zhang, Z.; Serratore, N. A.; Cramer, C. J.; Gagliardi, L.; Douglas, C. J. "Partial Fluorination as a Strategy for Crystal Engineering of Rubrene Derivatives" Cryst. Growth Des. 2017, 17, 643 (doi:10.1021/acs.cgd.6b01497). (abstract)

  7. Rimoldi, M.; Bernales, V.; Borycz, J.; Vjunov, A.; Gallington, L. C.; Platero-Prats, A. E.; Kim, I. S.; Fulton, J. L.; Martinson, A. B. F.; Lercher, J. A.; Chapman, K. W.; Cramer, C. J.; Gagliardi, L.; Hupp, J. T.; Farha, O. K. "Atomic Layer Deposition in a Metal-Organic Framework: Synthesis, Characterization, and Performance of a Solid Acid" Chem. Mater. 2017, 29, 1058 (doi:10.1021/acs.chemmater.6b03880). (abstract)

  8. Ghosh, S.; Cramer, C. J.; Truhlar, D. G.; Gagliardi, L. "Generalized Active Space Pair Density Functional Theory: An Efficient Method to Study Large, Strongly Correlated, Conjugated Systems" Chem. Sci. 2017, 8, 2741 (doi:10.1039/c6sc05036k). (abstract)

  9. Spivak, M.; Vogiatzis, K. D.; Cramer, C. J.; de Graaf, C.; Gagliardi, L. "Quantum Chemical Characterization of Single Molecule Magnets Based on Uranium" J. Phys. Chem. A 2017, 121, 1726 (doi:10.1021/acs.jpca.6b10933). (abstract)

  10. Yang, D.; Momeni, M. R.; Demir, H.; Pahls, D. R.; Rimoldi, M.; Wang, T. C.; Farha, O. K.; Hupp, J. T.; Cramer, C. J.; Gates, B. C.; Gagliardi, L. "Tuning the Properties of Metal Organic Framework Nodes as Supports of Single-Site Catalysts" Faraday Discuss. 2017, 201, 201 (doi:10.1039/c7fd00031f). (abstract)

  11. Avila, J. R.; Li, Z.; Peters, A. W.; Ortuño, M. A.; Cramer, C. J.; Hupp, J. T.; Farha, O. K. "Atomic Layer Deposition of Cu(I) Oxide Films Using Cu(II) bis(dimethylamino-2-propoxide) and Water" Dalton Trans. 2017, 46, 5790 (doi:10.1039/c6dt02572b). (abstract)

  12. Verma, P.; Varga, Z.; Klein, J. E. M. N.; Cramer, C. J.; Que, L., Jr.; Truhlar, D. G. "Assessment of Electronic Structure Methods for the Determination of Ground Spin States of Fe(II), Fe(III), and Fe(IV) Complexes" Phys. Chem. Chem. Phys. 2017, 19, 13049 (doi:10.1039/c7cp01263b). (abstract)

  13. Bernales, V.; Yang, D.; Yu, J.; Gümüşlü, G.; Cramer, C. J.; Gates, B. C.; Gagliardi, L. "Molecular Rhodium Complexes Supported on the Metal-Oxide-Like Nodes of Metal Organic Frameworks and on Zeolite HY: Catalysts for Ethylene Hydrogenation and Dimerization" ACS Appl. Mater. Interfaces 2017, 9, 33511 (doi:10.1021/acsami.7b03858). (abstract)

  14. Goswami, S.; Miller, C. E.; Logsdon, J. L.; Buru, C. T.; Wu, Y.-L.; Bowman, D. N.; Islamoglu, T.; Asiri, A.; Cramer, C. J.; Wasielewski, M. R.; Hupp, J. T.; Farha, O. K. "Atomistic Approach towards Selective Photocatalytic Oxidation of a Mustard-Gas Simulant: A Case Study with Heavy-Chalcogen-Containing PCN-57 Analogues" ACS Appl. Mater. Interfaces 2017, 9, 19535 (doi:10.1021/acsami.7b07055). (abstract)

  15. Ikuno, T.; Zheng, J.; Vjunov, A.; Sanchez-Sanchez, M.; Ortuño, M. A.; Pahls, D. R.; Fulton, J. L.; Camaioni, D. M.; Li, Z.; Ray, D.; Mehdi, B. L.; Browning, N. D.; Farha, O. K.; Hupp, J. T.; Cramer, C. J.; Gagliardi, L.; Lercher, J. A. "Methane Oxidation to Methanol Catalyzed by Cu-oxo Clusters Stabilized in NU-1000 Metal-organic Framework" J. Am. Chem. Soc. 2017, 139, 10294 (doi:10.1021/jacs.7b02936). (abstract)

  16. Pahls, D. R.; Ortuño, M. A.; Winegar, P. H.; Cramer, C. J.; Gagliardi, L. "Computational screening of bimetal-functionalized Zr6O8 MOF nodes for methane C–H bond activation" Inorg. Chem. 2017, 56, 8739 (doi:10.1021/acs.inorgchem.7b01334). (abstract)

  17. Platero-Prats, A. E.; League, A. B.; Bernales, V.; Ye, J.; Gallington, L. C.; Vjunov, A.; Schweitzer, N. M.; Li, Z.; Zheng, J.; Mehdi, B. L.; Stevens, A. J.; Dohnalkova, A.; Balasubramanian, M.; Farha, O. K.; Hupp, J. T.; Browning, N. D.; Fulton, J. L.; Camaioni, D. M.; Lercher, J. A.; Truhlar, D. G.; Gagliardi, L.; Cramer, C. J.; Chapman, K. W. "Bridging Zirconia Nodes within a Metal-Organic Framework via Catalytic Ni-hydroxo Clusters to Form Hetero-Bimetallic Nanowires" J. Am. Chem. Soc. 2017, 139, 10410 (doi:10.1021/jacs.7b04997). (abstract)

  18. Ortuño, M. A.; Cramer, C. J. "Multireference Electronic Structures of Fe-Pyridine(diimine) Complexes over Multiple Oxidation States" J. Phys. Chem. A 2017, 121, 5932 (doi:10.1021/acs.jpca.7b06032). (abstract)

  19. John, A.; Dereli, B.; Ortuño, M. A.; Johnson, H. E.; Hillmyer, M. A.; Cramer, C. J.; Tolman, W. B. "Selective Decarbonylation of Fatty Acid Esters to Linear α-Olefins" Organometallics 2017, 36, 2956 (doi:10.1021/acs.organomet.7b00411). (abstract)

  20. Ono, T.; Qu, S.; Gimbert-Suriñach, C.; Johnson, M. A.; Marell, D. J.; Benet-Buchholz, J.; Cramer, C. J.; Llobet, A. "Hydrogenative Carbon Dioxide Reduction Catalyzed by Mononuclear Ruthenium Polypyridyl Complexes: Discerning between Electronic and Steric Effects" ACS Catal. 2017, 7, 5932 (doi:10.1021/acscatal.7b00603). (abstract)

  21. Ye, J.; Gagliardi, L.; Cramer, C. J.; Truhlar, D. G. "Single Ni Atoms and Ni4 Clusters Have Similar Catalytic Activity for Ethylene Dimerization" J. Catal. 2017, 354C, 278 (doi:10.1016/j.jcat.2017.08.011). (abstract)

  22. Ghosh, S.; Andersen, A.; Gagliardi, L.; Cramer, C. J.; Govind, N. "Modeling Optical Spectra of Large Organic Systems Using Real-Time Propagation of Semiempirical Effective Hamiltonians" J. Chem. Theor. Comput. 2017, 13, 4410 (doi:10.1021/acs.jctc.7b00618). (abstract)

  23. Ching, W.-M.; Zhou, A.; Klein, J. E. M. N.; Fan, R.; Knizia, G.; Cramer, C. J.; Guo, Y.; Que, L., Jr. "Characterization of the Fleeting Hydroxoiron(III) Complex of the Pentadentate TMC-py Ligand" Inorg. Chem. 2017, 56, 11129 (doi:10.1021/acs.inorgchem.7b01459). (abstract)

  24. Delle Chiaie, K. R.; Biernesser, A. B.; Ortuño, M. A.; Dereli, B.; Iovan, D. A.; Wilding, M. J. T.; Li, B.; Cramer, C. J.; Byers, J. A. "The Role of Ligand Redox Non-Innocence in Ring-Opening Polymerization Reactions Catalysed by Bis(imino)pyridine Iron Alkoxide Complexes" Dalton Trans. in press (doi:10.1039/c7dt03067c). (abstract)

  25. Fieser, M. E.; Sanford, M. J.; Mitchell, L. A.; Dunbar, C. R.; Mandal, M.; Van Zee, N. J.; Urness, D. M.; Cramer, C. J.; Coates, G. W.; Tolman, W. B. "Mechanistic Insights into the Alternating Copolymerization of Epoxides and Cyclic Anhydrides Using a (Salph)AlCl and Iminium Salt Catalytic System" J. Am. Chem. Soc. in press (doi:10.1021/jacs.7b09079). (abstract)

  26. Bowman, D. N.; Asher, J. C.; Fischer, S. A.; Cramer, C. J.; Govind, N. "Excited-State Absorption in Tetrapyridyl Porphyrins: Comparing Real-Time and Quadratic-Response Time-Dependent Density Functional Theory" Phys. Chem. Chem. Phys. in press (doi:10.1039/c7cp04567k). (abstract)


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