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Varinia Bernales - Publications

Affiliations: 
University of Minnesota, Twin Cities, Minneapolis, MN 
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24 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Oktawiec J, Jiang HZH, Vitillo JG, Reed DA, Darago LE, Trump BA, Bernales V, Li H, Colwell KA, Furukawa H, Brown CM, Gagliardi L, Long JR. Negative cooperativity upon hydrogen bond-stabilized O adsorption in a redox-active metal-organic framework. Nature Communications. 11: 3087. PMID 32555184 DOI: 10.1038/S41467-020-16897-Z  0.372
2020 Newcomb K, Bernales V, Tiwari SP, Gagliardi L, Maginn EJ. The role of cations in uranyl nanocluster association: a molecular dynamics study. Physical Chemistry Chemical Physics : Pccp. PMID 31903472 DOI: 10.1039/C9Cp05138D  0.322
2019 Moore JT, Chatterjee S, Tarrago M, Clouston LJ, Sproules S, Bill E, Bernales V, Gagliardi L, Ye S, Lancaster KM, Lu CC. Enhanced Fe-Centered Redox Flexibility in Fe-Ti Heterobimetallic Complexes. Inorganic Chemistry. PMID 30957996 DOI: 10.1021/Acs.Inorgchem.9B00442  0.347
2018 Sharma P, Bernales V, Truhlar DG, Gagliardi L. Valence ππ* Excitations in Benzene Studied by Multiconfiguration Pair-Density Functional Theory. The Journal of Physical Chemistry Letters. PMID 30540476 DOI: 10.1021/Acs.Jpclett.8B03277  0.304
2018 Bernales V, Froese RD. Rhodium catalyzed hydroformylation of olefins. Journal of Computational Chemistry. PMID 30379334 DOI: 10.1002/Jcc.25605  0.301
2018 Pham HQ, Bernales V, Gagliardi L. Can Density Matrix Embedding Theory with the Complete Activate Space Self-Consistent Field Solver Describe Single and Double Bond Breaking in Molecular Systems? Journal of Chemical Theory and Computation. PMID 29481744 DOI: 10.1021/Acs.Jctc.7B01248  0.311
2018 Yang D, Ortuño MA, Bernales V, Cramer CJ, Gagliardi L, Gates BC. Structure and dynamics of Zr6O8 metal-organic framework node surfaces probed with ethanol dehydration as a catalytic test reaction. Journal of the American Chemical Society. PMID 29458253 DOI: 10.1021/Jacs.7B13330  0.39
2018 Bernales V, Ortuño MA, Truhlar DG, Cramer CJ, Gagliardi L. Computational Design of Functionalized Metal-Organic Framework Nodes for Catalysis. Acs Central Science. 4: 5-19. PMID 29392172 DOI: 10.1021/Acscentsci.7B00500  0.391
2018 Simons MC, Ortuño MA, Bernales V, Gaggioli CA, Cramer CJ, 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 Catalysis. 8: 2864-2869. DOI: 10.1021/Acscatal.8B00012  0.387
2018 Pellizzeri S, Barona M, Bernales V, Miró P, Liao P, Gagliardi L, Snurr RQ, Getman RB. Catalytic descriptors and electronic properties of single-site catalysts for ethene dimerization to 1-butene Catalysis Today. 312: 149-157. DOI: 10.1016/J.Cattod.2018.02.024  0.445
2017 Platero-Prats AE, League AB, Bernales V, Ye J, Gallington LC, Vjunov A, Schweitzer NM, Li Z, Zheng J, Mehdi BL, Stevens AJ, Dohnalkova A, Balasubramanian M, Farha OK, Hupp JT, et al. Bridging Zirconia Nodes within a Metal-Organic Framework via Catalytic Ni-hydroxo Clusters to Form Hetero-Bimetallic Nanowires. Journal of the American Chemical Society. PMID 28696712 DOI: 10.1021/Jacs.7B04997  0.44
2017 Bernales V, Yang D, Yu J, Gümüşlü G, Cramer CJ, Gates BC, 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 Applied Materials & Interfaces. PMID 28537379 DOI: 10.1021/Acsami.7B03858  0.479
2017 Li Z, Peters AW, Bernales V, Ortuño MA, Schweitzer NM, DeStefano MR, Gallington LC, Platero-Prats AE, Chapman KW, Cramer CJ, Gagliardi L, Hupp JT, Farha OK. Metal-Organic Framework Supported Cobalt Catalysts for the Oxidative Dehydrogenation of Propane at Low Temperature. Acs Central Science. 3: 31-38. PMID 28149950 DOI: 10.1021/Acscentsci.6B00290  0.425
2017 Bernales V, League AB, Li Z, Schweitzer NM, Peters AW, Carlson RK, Hupp JT, Cramer CJ, Farha OK, Gagliardi L. Correction to “Computationally Guided Discovery of Catalytic Cobalt-Decorated Metal–Organic Framework for Ethylene Dimerization” The Journal of Physical Chemistry C. 121: 11975-11975. DOI: 10.1021/Acs.Jpcc.7B03864  0.334
2017 Rimoldi M, Bernales V, Borycz J, Vjunov A, Gallington LC, Platero-Prats AE, Kim IS, Fulton JL, Martinson ABF, Lercher JA, Chapman KW, Cramer CJ, Gagliardi L, Hupp JT, Farha OK. Atomic Layer Deposition in a Metal-Organic Framework: Synthesis, Characterization, and Performance of a Solid Acid Chemistry of Materials. 29: 1058-1068. DOI: 10.1021/Acs.Chemmater.6B03880  0.395
2016 Gimbert-Suriñach C, Moonshiram D, Francàs L, Planas N, Bernales V, Bozoglian F, Guda A, Mognon L, López I, Hoque MA, Gagliardi L, Cramer CJ, Llobet A. Structural and Spectroscopic Characterization of Reaction Intermediates Involved in a Dinuclear Co-Hbpp Water Oxidation Catalyst. Journal of the American Chemical Society. 138: 15291-15294. PMID 27933924 DOI: 10.1021/Jacs.6B08532  0.334
2016 Yang D, Bernales V, Islamoglu T, Farha OK, Hupp JT, Cramer CJ, Gagliardi L, Gates BC. Tuning the Surface Chemistry of Metal Organic Framework Nodes: Proton Topology of the Metal-oxide-like Zr6 nodes of UiO-66 and NU-1000. Journal of the American Chemical Society. PMID 27792873 DOI: 10.1021/Jacs.6B08273  0.416
2016 Yabushita M, Li P, Bernales V, Kobayashi H, Fukuoka A, Gagliardi L, Farha OK, Katz A. Unprecedented selectivity in molecular recognition of carbohydrates by a metal-organic framework. Chemical Communications (Cambridge, England). PMID 27184781 DOI: 10.1039/C6Cc03266D  0.35
2016 Li Z, Schweitzer NM, League AB, Bernales V, Peters AW, Getsoian AB, Wang TC, Miller JT, Vjunov A, Fulton JL, Lercher JA, Cramer CJ, Gagliardi L, Hupp JT, Farha OK. Sintering-Resistant Single-Site Nickel Catalyst Supported by Metal-Organic Framework. Journal of the American Chemical Society. PMID 26836273 DOI: 10.1021/Jacs.5B12515  0.4
2016 Bernales V, League AB, Li Z, Schweitzer NM, Peters AW, Carlson RK, Hupp JT, Cramer CJ, Farha OK, Gagliardi L. Computationally Guided Discovery of a Catalytic Cobalt-Decorated Metal–Organic Framework for Ethylene Dimerization The Journal of Physical Chemistry C. 120: 23576-23583. DOI: 10.1021/Acs.Jpcc.6B07362  0.449
2016 Ortuño MA, Bernales V, Gagliardi L, Cramer CJ. Computational Study of First-Row Transition Metals Supported on MOF NU-1000 for Catalytic Acceptorless Alcohol Dehydrogenation The Journal of Physical Chemistry C. 120: 24697-24705. DOI: 10.1021/Acs.Jpcc.6B06381  0.402
2016 Thompson AB, Pahls DR, Bernales V, Gallington LC, Malonzo CD, Webber T, Tereniak SJ, Wang TC, Desai SP, Li Z, Kim IS, Gagliardi L, Penn RL, Chapman KW, Stein A, et al. Installing Heterobimetallic Cobalt-Aluminum Single Sites on a Metal Organic Framework Support Chemistry of Materials. 28: 6753-6762. DOI: 10.1021/Acs.Chemmater.6B03244  0.404
2015 Clouston LJ, Bernales V, Carlson RK, Gagliardi L, Lu CC. Bimetallic Cobalt-Dinitrogen Complexes: Impact of the Supporting Metal on N2 Activation. Inorganic Chemistry. PMID 26131773 DOI: 10.1021/Acs.Inorgchem.5B00983  0.344
2015 Siedschlag RB, Bernales V, Vogiatzis KD, Planas N, Clouston LJ, Bill E, Gagliardi L, Lu CC. Catalytic silylation of dinitrogen with a dicobalt complex. Journal of the American Chemical Society. 137: 4638-41. PMID 25799204 DOI: 10.1021/Jacs.5B01445  0.37
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