Research Output

2019

Hydrolytically-degradable homo- and copolymers of a strained exocyclic hemiacetal ester

Neitzel, A. E., Barreda, L., Trotta, J. T., Fahnhorst, G. W., Haversang, T. J., Hoye, T. R., Fors, B. P. & Hillmyer, M. A., Sep 7 2019, In : Polymer Chemistry. 10, 33, p. 4573-4583 11 p.

Research output: Contribution to journalArticle

1 Scopus citations

Identification Schemes for Metal-Organic Frameworks To Enable Rapid Search and Cheminformatics Analysis

Bucior, B. J., Rosen, A. S., Haranczyk, M., Yao, Z., Ziebel, M. E., Farha, O. K., Hupp, J. T., Siepmann, J. I., Aspuru-Guzik, A. & Snurr, R. Q., Nov 6 2019, In : Crystal Growth and Design. 19, 11, p. 6682-6697 16 p.

Research output: Contribution to journalArticle

2 Scopus citations

Immunological Properties of Protein-Polymer Nanoparticles

Crooke, S. N., Zheng, J., Ganewatta, M. S., Guldberg, S. M., Reineke, T. M. & Finn, M. G., Jan 22 2019, In : ACS Applied Bio Materials. 2, 1, p. 93-103 11 p.

Research output: Contribution to journalArticle

1 Scopus citations
Open Access

Impact of Oxidation State on Reactivity and Selectivity Differences between Nickel(III) and Nickel(IV) Alkyl Complexes

Roberts, C. C., Camasso, N. M., Bowes, E. G. & Sanford, M. S., Jul 1 2019, In : Angewandte Chemie - International Edition. 58, 27, p. 9104-9108 5 p.

Research output: Contribution to journalArticle

5 Scopus citations

Indirect potentiometric determination of polyquaternium polymer concentrations by equilibrium binding to 1-dodecyl sulfate

Anderson, E. L., Samaniego, P. D. & Bühlmann, P., Jan 1 2019, In : Analytical Sciences. 35, 6, p. 679-684 6 p.

Research output: Contribution to journalArticle

Open Access

Influence of Cholesterol and Bilayer Curvature on the Interaction of PPO-PEO Block Copolymers with Liposomes

Zhang, W., Coughlin, M. L., Metzger, J. M., Hackel, B. J., Bates, F. S. & Lodge, T. P., Jun 4 2019, In : Langmuir. 35, 22, p. 7231-7241 11 p.

Research output: Contribution to journalArticle

6 Scopus citations

Insight into the effects of plasmodium chabaudi on platelets using carbon-fiber microelectrode amperometry

Xiong-Hang, K., Kemnetz-Ness, K., Krieger, A. C. & Haynes, C. L., Apr 12 2019, In : ACS Infectious Diseases. 5, 4, p. 592-597 6 p.

Research output: Contribution to journalArticle

In Situ Formation of Unprecedented Neptunium-Oxide Wheel Clusters Stabilized in a Metal-Organic Framework

Gilson, S. E., Li, P., Szymanowski, J. E. S., White, J., Ray, D., Gagliardi, L., Farha, O. K. & Burns, P. C., Jul 31 2019, In : Journal of the American Chemical Society. 141, 30, p. 11842-11846 5 p.

Research output: Contribution to journalArticle

8 Scopus citations

In situ measurement of pH in liquid chromatography systems using a colorimetric approach

Leme, G., Madigan, B., Eikens, J., Harmes, D. C., Richardson, D., Carr, P. & Stoll, D., Jan 21 2019, In : Analytical Methods. 11, 3, p. 381-386 6 p.

Research output: Contribution to journalReview article

1 Scopus citations

Integrating Green Chemistry in the Curriculum: Building Student Skills in Systems Thinking, Safety, and Sustainability

Aubrecht, K. B., Bourgeois, M., Brush, E. J., Mackellar, J. & Wissinger, J. E., Dec 10 2019, In : Journal of Chemical Education. 96, 12, p. 2872-2880 9 p.

Research output: Contribution to journalArticle

Introducing JCED's Latin America Special Issue

Brennecke, J. F., Kofke, D. A., Kroon, M., Mathias, P. M., Sadowski, G., Siepmann, J. I. & Wu, J., May 9 2019, In : Journal of Chemical and Engineering Data. 64, 5, 1 p.

Research output: Contribution to journalEditorial

Open Access

Introduction: Computational Design of Catalysts from Molecules to Materials

Ess, D., Gagliardi, L. & Hammes-Schiffer, S., Jun 12 2019, In : Chemical Reviews. 119, 11, p. 6507-6508 2 p.

Research output: Contribution to journalEditorial

Open Access
4 Scopus citations

Investigation of (S)-(-)-acidomycin: A selective antimycobacterial natural product that inhibits biotin synthase

Bockman, M. R., Engelhart, C. A., Cramer, J. D., Howe, M. D., Mishra, N. K., Zimmerman, M., Larson, P., Alvarez-Cabrera, N., Park, S. W., Boshoff, H. I. M., Bean, J. M., Young, V. G., Ferguson, D. M., Dartois, V., Jarrett, J. T., Schnappinger, D. & Aldrich, C., Apr 12 2019, In : ACS Infectious Diseases. 5, 4, p. 598-617 20 p.

Research output: Contribution to journalArticle

2 Scopus citations

Investigation of Micromechanical Behavior and Voiding of Polyethylene Terephthalate/Polyethylene- stat-methyl Acrylate Blends during Tensile Deformation

Lee, B., Onbulak, S., Xu, Y., Topolkaraev, V., McEneany, R., Bates, F. S. & Hillmyer, M. A., Apr 24 2019, In : Industrial and Engineering Chemistry Research. 58, 16, p. 6402-6412 11 p.

Research output: Contribution to journalArticle

1 Scopus citations

Iodination of vanillin and subsequent Suzuki-Miyaura coupling: two-step synthetic sequence teaching green chemistry principles

Palesch, J. J., Gilles, B. C., Chycota, J., Haj, M. K., Fahnhorst, G. W. & Wissinger, J. E., Apr 3 2019, In : Green Chemistry Letters and Reviews. 12, 2, p. 117-126 10 p.

Research output: Contribution to journalLetter

Open Access
1 Scopus citations

Ionic liquid-based reference electrodes for miniaturized ion sensors: What can go wrong?

Mousavi, M. P. S., Abd El-Rahman, M. K., Tan, E. K. W., Sigurslid, H. H., Arkan, N., Lane, J. S., Whitesides, G. M. & Bühlmann, P., Dec 12 2019, In : Sensors and Actuators, B: Chemical. 301, 127112.

Research output: Contribution to journalArticle

Is the Inversion of Phosphorus Trihalides (PF 3 , PCl 3 , PBr 3 , and PI 3 ) a Diradical Process?

Varga, Z., Verma, P. & Truhlar, D. G., Oct 1 2019, In : Journal of Physical Chemistry A. 123, 1, p. 301-312 12 p.

Research output: Contribution to journalArticle

2 Scopus citations
Open Access

Kinetic Resolution of Cyclic Secondary Azides, Using an Enantioselective Copper-Catalyzed Azide-Alkyne Cycloaddition

Alexander, J. R., Ott, A. A., Liu, E. C. & Topczewski, J. J., Jun 7 2019, In : Organic Letters. 21, 11, p. 4355-4358 4 p.

Research output: Contribution to journalArticle

7 Scopus citations
19 Scopus citations

Kinetics of the toluene reaction with OH radical

Zhang, R. M., Truhlar, D. G. & Xu, X., Jan 1 2019, In : Research. 2019, 5373785.

Research output: Contribution to journalArticle

Open Access
1 Scopus citations

Letter from the Editor

Que, L., Dec 1 2019, In : Journal of Biological Inorganic Chemistry. 24, 8, 1 p.

Research output: Contribution to journalLetter

Open Access

M11plus: A Range-Separated Hybrid Meta Functional with Both Local and Rung-3.5 Correlation Terms and High Across-the-Board Accuracy for Chemical Applications

Verma, P., Janesko, B. G., Wang, Y., He, X., Scalmani, G., Frisch, M. J. & Truhlar, D. G., Sep 10 2019, In : Journal of Chemical Theory and Computation. 15, 9, p. 4804-4815 12 p.

Research output: Contribution to journalArticle

2 Scopus citations

Measurements of dark triplet exciton diffusion in a phosphor-sensitized organic photovoltaic cell

Shi, K., Curtin, I. J., Healy, A. T., Zhang, T., Blank, D. A. & Holmes, R. J., Jan 1 2019, Organic, Hybrid, and Perovskite Photovoltaics XX. Kafafi, Z. H., Lane, P. A. & Lee, K. (eds.). SPIE, 110941Q. (Proceedings of SPIE - The International Society for Optical Engineering; vol. 11094).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Mechanisms for Hydrogen-Atom Abstraction by Mononuclear Copper(III) Cores: Hydrogen-Atom Transfer or Concerted Proton-Coupled Electron Transfer?

Mandal, M., Elwell, C. E., Bouchey, C. J., Zerk, T. J., Tolman, W. B. & Cramer, C. J., Jan 1 2019, In : Journal of the American Chemical Society. 141, 43, p. 17236-17244 9 p.

Research output: Contribution to journalArticle

5 Scopus citations

Mechanistic Study of Palladium-Catalyzed Hydroesterificative Copolymerization of Vinyl Benzyl Alcohol and CO

Yee, G. M., Wang, T., Hillmyer, M. A. & Tonks, I. A., Apr 22 2019, In : Organometallics. 38, 8, p. 1778-1786 9 p.

Research output: Contribution to journalArticle

1 Scopus citations

Mechanistic Study of Stress Relaxation in Urethane-Containing Polymer Networks

Brutman, J. P., Fortman, D. J., De Hoe, G. X., Dichtel, W. R. & Hillmyer, M. A., Feb 14 2019, In : Journal of Physical Chemistry B. 123, 6, p. 1432-1441 10 p.

Research output: Contribution to journalArticle

11 Scopus citations

Mechanistic Study on the Origin of the Trans Selectivity in Alkyne Semihydrogenation by a Heterobimetallic Rhodium-Gallium Catalyst in a Metal-Organic Framework

Desai, S. P., Ye, J., Islamoglu, T., Farha, O. K. & Lu, C. C., Sep 23 2019, In : Organometallics. 38, 18, p. 3466-3473 8 p.

Research output: Contribution to journalArticle

10 Scopus citations

Metal-Organic Frameworks with Metal-Catecholates for O2/N2 Separation

Demir, H., Stoneburner, S. J., Jeong, W., Ray, D., Zhang, X., Farha, O. K., Cramer, C. J., Siepmann, J. I. & Gagliardi, L., May 23 2019, In : Journal of Physical Chemistry C. 123, 20, p. 12935-12946 12 p.

Research output: Contribution to journalArticle

3 Scopus citations
1 Scopus citations

Micellization of Binary Diblock Co-polymer Mixtures in an Ionic Liquid

Zhao, D., Ma, Y., Wang, E. & Lodge, T. P., Jan 1 2019, In : Macromolecules.

Research output: Contribution to journalArticle

1 Scopus citations

Model of the impact of use of thermal energy storage on operation of a nuclear power plant Rankine cycle

Carlson, F., Davidson, J. H., Tran, N. & Stein, A., Feb 1 2019, In : Energy Conversion and Management. 181, p. 36-47 12 p.

Research output: Contribution to journalArticle

3 Scopus citations

Modern applications of low-valent early transition metals in synthesis and catalysis

Beaumier, E. P., Pearce, A. J., See, X. Y. & Tonks, I. A., Jan 1 2019, In : Nature Reviews Chemistry. 3, 1, p. 15-34 20 p.

Research output: Contribution to journalReview article

22 Scopus citations
3 Scopus citations

Molecular-bond breaking induced by interatomic decay processes

Chiang, Y. C., Engin, S., Bao, P., Otto, F., Kolorenč, P., Votavová, P., Miteva, T., Gao, J. & Sisourat, N., Nov 11 2019, In : Physical Review A. 100, 5, 052701.

Research output: Contribution to journalArticle

Molecular Simulations Probing the Thermophysical Properties of Homogeneously Stretched and Bubbly Water Systems

Chen, J. L., Xue, B., Mahesh, K. & Siepmann, J. I., Sep 12 2019, In : Journal of Chemical and Engineering Data. 64, 9, p. 3755-3771 17 p.

Research output: Contribution to journalArticle

1 Scopus citations

Molecular Surface Functionalization of Carbon Materials via Radical-Induced Grafting of Terminal Alkenes

Zhang, Y., Tamijani, A. A., Taylor, M. E., Zhi, B., Haynes, C. L., Mason, S. E. & Hamers, R. J., Jan 1 2019, In : Journal of the American Chemical Society.

Research output: Contribution to journalArticle

5 Scopus citations

MoTe2 Lateral Homojunction Field-Effect Transistors Fabricated using Flux-Controlled Phase Engineering

Ma, R., Zhang, H., Yoo, Y., Degregorio, Z. P., Jin, L., Golani, P., Ghasemi Azadani, J., Low, T., Johns, J., Bendersky, L. A., Davydov, A. V. & Koester, S. J., Jul 23 2019, In : ACS nano. 13, 7, p. 8035-8046 12 p.

Research output: Contribution to journalArticle

7 Scopus citations
9 Scopus citations

Multiconfiguration Pair-Density Functional Theory for Iron Porphyrin with CAS, RAS, and DMRG Active Spaces

Zhou, C., Gagliardi, L. & Truhlar, D. G., Apr 18 2019, In : Journal of Physical Chemistry A. 123, 15, p. 3389-3394 6 p.

Research output: Contribution to journalArticle

7 Scopus citations
2 Scopus citations

Multiple Bonds in Uranium-Transition Metal Complexes

Sharma, P., Pahls, D. R., Ramirez, B. L., Lu, C. C. & Gagliardi, L., Aug 5 2019, In : Inorganic chemistry. 58, 15, p. 10139-10147 9 p.

Research output: Contribution to journalArticle

1 Scopus citations
1 Scopus citations

Multistructural Anharmonicity Controls the Radical Generation Process in Biofuel Combustion

Xing, L., Wang, Z. & Truhlar, D. G., Nov 20 2019, In : Journal of the American Chemical Society. 141, 46, p. 18531-18543 13 p.

Research output: Contribution to journalArticle

2 Scopus citations