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Bess Vlaisavljevich

Bess Vlaisavljevich

Assistant Professor

CHEMISTRY

Churchill-Haines Labs 302

Phone: (605) 658-6742

Email: Bess.Vlaisavljevich@usd.edu

Website: http://usdchemistry.com/vlaisavljevich/

Curriculum Vitae

Bio:

Dr. Vlaisavljeich received a B.A. from the University of Minnesota - Morris in 2007. She continued her studies at the University of Minnesota - Twin Cities where she obtained her M.S. in Chemistry in 2010 and her Ph.D. in Chemistry in 2013. Before joining the Department of Chemistry in 2017, she performed postdoctoral research at the University of California Berkeley (2013 to 2015) and at Northwestern University (2015 to 2017).


Teaching Interests:

Physical Chemistry, Computational Chemistry, General Chemistry


Research Interests:

We are interested in studying systems that contain transition metals, lanthanides, or actinides including cases with multiple metal centers, non-innocent ligands, and materials with defect sites that have the potential to increase the complexity of the electronic structure. Through the combined use of quantum chemical and classical methods, our goal is to rationalize, predict, and inspire the design of new materials. We are open to collaborations with both experimental or other computational groups.


Education:

  • Ph D, Chemistry, University of Minnesota - Twin Cities, 2013
  • MS, Chemistry, University of Minnesota - Twin Cities, 2010
  • BA, Chemistry, University of Minnesota - Morris, 2007

Grants:

  • NSF Center for Chemical Innovation: Center for Sustainable Polymers, National Science Foundation. Grant Role: Supporting. (2019 - 2024)
  • EPSCoR Track-2: Data Driven Material Discovery Center for Bioengineering Innovation, NSF. Grant Role: Supporting. (2019 - 2023)
  • Modernizing the Sioux Valley ACS Local Section's Digital Footprint, American Chemical Society. Grant Role: Supporting. (2019 - 2020)
  • IUCRC Planning Grant: Center for Solid-State Green Electric Power Generation and Storage (CEPS), National Science Foundation. Grant Role: Co-Principal. (2019 - 2019)
  • Controlling Molecular Structure and Spin with Multiconfigurational Quantum Chemistry, Department of Energy. Grant Role: Principal. (2018 - 2022)
  • REU Site: Undergraduate Research in Fluorine Chemistry, National Science Foundation. Grant Role: Supporting. (2018 - 2021)
  • Center for Sustainable Polymers Seed Grant: Ruthenium Catalyzed Decarbonylation Chemistry, National Science Foundation. Grant Role: Principal. (2018 - 2019)

Publications:

Citations listed below are presented in a standardized, modified format for display purposes only. They do not necessarily reflect the preferred style and conventions of the faculty member or discipline.

  • Murillo, Jesse, Bhowmick, Rina, Harriman, Katie L., Gomez-Torres, Alejandra, Wright, Joshua, Meulenberg, Robert W., Miro, Pere, Metta-Magana, Alejandro, Murgesu, Muralee, Vlaisavljevich, Bess, and Fortier, Skye. Actinide arene-metalates: ion pairing effects on the electronic structure of unsupported uranium-arenide sandwich complexes. Chemical Science, 2021. (DOI: 10.1039/D1SC03275E)
  • Colwell, Kristen A., Jackson, Megan N., Torres-Gavosto, Rodolfo M., Jawahery, Sudi, Vlaisavljevich, Bess, Falkowski, Joseph M., Smit, Berend, Weston, Simon C., and Long, Jeffrey R.. Buffered Coordination Modulation as a Means of Controlling Crystal Morphology and Molecular Diffusion in an Anisotropic Metal-Organic Framework, 5044-5052. Vol. 143, Iss. 13. Journal of the American Chemical Society, 2021. (DOI: 10.1021/jacs.1c00136)
  • Mariano, Lorenzo A., Vlaisavljevich, Bess, and Poloni, Roberta. Improved Spin-State Energy Differences of Fe(II) Molecular and Crystalline Complexes via the Hubbard U-Corrected Density, 2807-2816. Vol. 17, Iss. 5. Journal of Chemical Theory and Computation, 2021. (DOI: 10.1021/acs.jctc.1c00034)
  • Pang, Yutong, Ardagh, M. A., Shetty, Manish, Chatzidimitriou, Anargyros, Kumar, Gaurav, Vlaisavljevich, Bess, and Dauenhauer, Paul J.. On the Spatial Design of Co-Fed Amines for Selective Dehydration of Methyl Lactate to Acrylates, 5718-5735. Vol. 11, Iss. 9. ACS Catalysis, 2021. (DOI: 10.1021/acscatal.1c00573)
  • Gaylor, Michael O., Miro, Pere, Vlaisavljevich, Bess, Kondage, Ashen Anuradha Suduweli, Barge, Laura M., Omran, Arthur, Videau, Patrick, Swenson, Vaille A., Leinen, Lucas J., Fitch, Nathaniel W., Cole, Krista L., Stone, Chris, Drummond, Samuel M., Rageth, Kayli, Dewitt, Lillian R., Gonzalez Henao, Sarah, and Karanauskus, Vytis. Plausible Emergence and Self Assembly of a Primitive Phospholipid from Reduced Phosphorus on the Primordial Earth. Origins of Life and Evolution of Biospheres, 2021. (DOI: 10.1007/s11084-021-09613-4)
  • Krishnan, V. M., Shopov, Dimitar Y., Bouchey, Caitlin J., Bailey, Wilson D., Parveen, Riffat, Vlaisavljevich, Bess, and Tolman, William B.. Structural Characterization of the [CuOR](2+) Core, 3295-3299. Vol. 143, Iss. 9. Journal of the American Chemical Society, 2021. (DOI: 10.1021/jacs.0c13470)
  • Wu, Wen, De Hont, Jacqui Tehranchi, Parveen, Riffat, Vlaisavljevich, Bess, and Tolman, William B.. Sulfur-Containing Analogues of the Reactive [CuOH](2+) Core, 5217-5223. Vol. 60, Iss. 7. Inorganic Chemistry, 2021. (DOI: 10.1021/acs.inorgchem.1c00216)
  • Wiessner, Tedd C., Fosu, Samuel A., Parveen, Riffat, Rath, Nigam P., Vlaisavljevich, Bess, and Tolman, William B.. Ligand Effects on Decarbonylation of Palladium-Acyl Complexes, 3992--3998. Vol. 39, Iss. 22. Organometallics, 2020.
  • Mariano, Lorenzo A., Vlaisavljevich, Bess, and Poloni, Roberta. Biased Spin-State Energetics of Fe (II) Molecular Complexes within Density-Functional Theory and the Linear-Response Hubbard U Correction, 6755--6762. Vol. 16, Iss. 11. Journal of Chemical Theory and Computation, 2020.
  • Coste, Scott C., Pearson, Tyler J., Altman, Alison, Klein, Ryan A., Finney, Brian A., Hu, Michael, Alp, Ercan E., Vlaisavljevich, Bess, and Freedman, Danna. Orbital Energy Mismatch Engenders High-Spin Ground States in Heterobimetallic Complexes, 9971-9977. Vol. 11. Chemical Science, 2020. (DOI: 10.1039/D0SC03777J)
  • Gamonal, Arturo, Sun, Chen, Mariano, A Lorenzo, Fernandez-Bartolome, Estefania, Guerrero-SanVicente, Elena, Vlaisavljevich, Bess, Castells-Gil, Javier, Marti-Gastaldo, Carlos, Poloni, Roberta, Wannemacher, Reinhold, and others. Divergent Adsorption-Dependent Luminescence of Amino-Functionalized Lanthanide Metal-Organic Frameworks for Highly Sensitive NO2 Sensors, 3362-3368. Vol. 11. The Journal of Physical Chemistry Letters, 2020. (DOI: 10.1021/acs.jpclett.0c00457)
  • Lee, Kyounghoon, Culpepper, Johnathan D., Parveen, Riffat, Swenson, Dale C., Vlaisavljevich, Bess, and Daly, Scott R.. Modifying Phosphorus (III) Substituents to Activate Remote Ligand-Centered Reactivity in Triaminoborane Ligands, 2526-2533. Vol. 39, Iss. 13. Organometallics, 2020. (DOI: 10.1021/acs.organomet.0c00321)
  • Lee, Kyounghoon, Lai, Po-Ni, Parveen, Riffat, Donahue, Courtney M., Wymore, Mikayla M., Massman, Blake A., Vlaisavljevich, Bess, Teets, Thomas S., and Daly, Scott R.. Modifying the Luminescent Properties of a Cu(I) Diphosphine Complex Using Ligand-Centered Reactions in Single Crystals, 9110-9113. Vol. 56, Iss. 64. Chem. Commun., 2020. (DOI: 10.1039/D0CC03427D)
  • Park, Jae W., Al-Saadon, Rachael, MacLeod, Matthew K., Shiozaki, Toru, and Vlaisavljevich, Bess. Multireference Electron Correlation Methods: Journeys Along Potential Energy Surfaces, 5878-5909. Vol. 120, Iss. 13. Chemical Reviews, 2020. (DOI: 10.1021/acs.chemrev.9b00496)
  • Fetrow, Taylor V., Bhowmick, Rina, Achazi, Andreas J., Blake, Anastasia V., Eckstrom, Francesca D., Vlaisavljevich, Bess, and Daly, Scott R.. Chelating Borohydrides for Lanthanides and Actinides: Structures, Mechanochemistry, and Case Studies with Phosphinodiboranates, 48-61. Vol. 59, Iss. 1. Inorganic Chemistry, 2019. (DOI: 10.1021/acs.inorgchem.9b01628)
  • Lee, Kyounghoon, Kim, Chan Woo, Buckley, Jimmy L., Vlaisavljevich, Bess, and Daly, Scott R.. Isolation of Ligand-Centered Borocations in Molybdenum Complexes Containing a Triaminoborane-Bridged Diphosphorus Ligand, 3777-3785. Vol. 48, Iss. 11. Dalton Trans., 2019. (DOI: 10.1039/c9dt00733d)
  • Fataftah, Majed S., Krzyaniak, Matthew D., Vlaisavljevich, Bess, Wasielewski, Michael R., Zadrozny, Joseph M., and Freedman, Danna E.. Metal-Ligand Covalency Enables Room Temperature Molecular Qubit Candidates, 6707-6714. Vol. 10, Iss. 27. Chem. Sci., 2019. (DOI: 10.1039/C9SC00074G)
  • Janda, Amber, Lin, Li-Chiang, Vlaisavljevich, Bess, Van der Mynsbrugge, Jeroen, and Bell, Alexis T.. Response to "Impact of Zeolite Structure on Entropic-Enthalpic Contributions to Alkane Monomolecular Cracking: An IR Operando Study", 7225-7226. Vol. 25, Iss. 29. Chem. Eur. J., 2019. (DOI: 10.1002/chem.201801785)
  • Wooles, Ashley J., Mills, David P., Tuna, Floriana, McInnes, Eric J., Law, Gareth T., Fuller, Adam J., Kremer, Felipe, Ridgway, Mark, Lewis, William, Gagliardi, Laura, Vlaisavljevich, Bess, and Liddle, Stephen T.. Uranium(III)-Carbon Multiple Bonding Supported by Arene ?-bonding in Mixed-Valence Hexauranium Nanometre-Scale Rings. Vol. 9, Iss. 1. Nature Communications, 2018. (DOI: 10.1038/s41467-018-04560-7)
  • Lee, Kyounghoon, Kirkvold, Clara, Vlaisavljevich, Bess, and Daly, Scott R.. Ligand-Centered Borenium Reactivity in Triaminoborane-Bridged Diphosphine Complexes, 13188-13200. Vol. 57, Iss. 21. Inorganic Chemistry, 2018. (DOI: 10.1021/acs.inorgchem.8b01601)
  • Asgari, Mehrdad, Jawahery, Sudi, Bloch, Eric D., Hudson, Matthew R., Flacau, Roxana, Vlaisavljevich, Bess, Long, Jeffrey R., Brown, Craig M., and Queen, Wendy L.. An experimental and computational study of CO2 adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites, 4579-4588. Chem. Sci., 2018. (DOI: 10.1039/C8SC00971F)
  • Blake, Anastasia V., Fetrow, Taylor V., Theiler, Zachary J., Vlaisavljevich, Bess, and Daly, Scott R.. Homoleptic Uranium and Lanthanide Phosphinodiboranates, 5602-5605. Vol. 54, Iss. 44. Chem. Commun., 2018. (DOI: 10.1039/c8cc02862a)
  • Weichman, Marissa L., Vlaisavljevich, Bess, DeVine, Jessalyn A., Shuman, Nicholas S., Ard, Shaun G., Shiozaki, Toru, Neumark, Daniel M., and Viggiano, Albert A.. Electronic structure of SmO and SmO- via slow photoelectron velocity-map imaging spectroscopy and spin-orbit CASPT2 calculations, 234311. Vol. 147, Iss. 23. J. Chem. Phys., 2017. (DOI: 10.1063/1.5008423)
  • Fortier, Skye, Aguilar-Calderón, J. R., Vlaisavljevich, Bess, Metta-Magaña, Alejandro J., Goos, Alan G., and Botez, Cristian E.. An N-Tethered Uranium(III) Arene Complex and the Synthesis of an Unsupported U-Fe Bond, 4591-4599. Vol. 36, Iss. 23. Organomet., 2017. (DOI: 10.1021/acs.organomet.7b00429)
  • Coste, Scott C., Vlaisavljevich, Bess, and Freedman, Danna E.. Magnetic Anisotropy from Main-Group Elements: Halides versus Group 14 Elements, 8195-8202. Vol. 56, Iss. 14. Inorg. Chem., 2017. (DOI: 10.1021/acs.inorgchem.7b00923)
  • Anderson, Samantha L., Gladysiak, Andrzej, Boyd, Peter G., Ireland, Christopher P., Mieville, Pascal, Tiana, Davide, Vlaisavljevich, Bess, Schouwink, Pascal, van Beek, Wouter, Gagnon, Kevin J., Smit, Berend, and Stylianou, Kyriakos C.. Formation pathways of metal-organic frameworks proceeding through partial dissolution of the metastable phase, 3407-3413. Vol. 19, Iss. 25. Cryst. Eng. Comm., 2017. (DOI: 10.1039/c7ce00589j)
  • Vlaisavljevich, Bess, Huck, Johanna, Hulvey, Zeric, Lee, Kyuho, Mason, Jarad A., Neaton, Jeffrey B., Long, Jeffrey R., Brown, Craig M., Alfe, Dario, Michaelides, Angelos, and Smit, Berend. Performance of van der Waals Corrected Functionals for Guest Adsorption in the M-2(dobdc) Metal-Organic Frameworks, 4139-4151. Vol. 121, Iss. 21. J. Phys. Chem. A, 2017. (DOI: 10.1021/acs.jpca.7b00076)
  • Jawahery, Sudi, Simon, Cory M., Braun, Efrem, Witman, Matthew, Tiana, Davide, Vlaisavljevich, Bess, and Smit, Berend. Adsorbate-induced lattice deformation in IRMOF-74 series. Vol. 8. Nat. Commun., 2017. (DOI: 10.1038/ncomms13945)
  • Janda, Amber, Vlaisavljevich, Bess, Smit, Berend, Lin, Li-Chiang, and Bell, Alexis T.. Effects of Pore and Cage Topology on the Thermodynamics of n-Alkane Adsorption at Bronsted Protons in Zeolites at High Temperature, 1618-1638. Vol. 121, Iss. 3. J. Phys. Chem. C, 2016. (DOI: 10.1021/acs.jpcc.6b09703)
  • Janda, Amber, Vlaisavljevich, Bess, Lin, Li-Chiang, Smit, Berend, and Bell, Alexis T.. Effects of Zeolite Structural Confinement on Adsorption Thermodynamics and Reaction Kinetics for Monomolecular Cracking and Dehydrogenation of n-Butane, 4739-4756. Vol. 138, Iss. 14. J. Am. Chem. Soc., 2016. (DOI: 10.1021/jacs.5b11355)
  • Vlaisavljevich, Bess, and Shiozaki, Toru. Nuclear Energy Gradients for Internally Contracted Complete Active Space Second-Order Perturbation Theory: Multistate Extensions, 3781-3787. Vol. 12, Iss. 8. J. Chem. Theory Comput. , 2016. (DOI: 10.1021/acs.jctc.6b00572)
  • Mercado, Rocio, Vlaisavljevich, Bess, Lin, Li-Chiang, Lee, Kyuho, Lee, Yongjin, Mason, Jarad A., Xiao, Dianne J., Gonzalez, Miguel I., Kapelewski, Matthew T., Neaton, Jeffrey B., and Smit, Berend. Force Field Development from Periodic Density Functional Theory Calculations for Gas Separation Applications Using Metal-Organic Frameworks, 12590-12604. Vol. 120, Iss. 23. J. Phys. Chem. C, 2016. (DOI: 10.1021/acs.jpcc.6b03393)
  • Vlaisavljevich, Bess, Andrews, Lester, Wang, Xuefeng, Gong, Yu, Kushto, Gary P., and Bursten, Bruce E.. Detection and Electronic Structure of Naked Actinide Complexes: Rhombic-Ring (AnN)2 Molecules Stabilized by Delocalized ?-Bonding, 893-905. Vol. 138, Iss. 3. J. Am. Chem. Soc., 2016. (DOI: 10.1021/jacs.5b10458)
  • Miro, Pere, Vlaisavljevich, Bess, Gil, Adria, Burns, Peter C., Nyman, May, and Bo, Carles. Self-Assembly of Uranyl-Peroxide Nanocapsules in Basic Peroxidic Environments, 8571-8578. Vol. 22, Iss. 25. Chem. Eur. J, 2016. (DOI: 10.1002/chem.201600390)
  • Fataftah, Majed S., Coste, Scott C., Vlaisavljevich, Bess, Zadrozny, Joseph M., and Freedman, Danna E.. Transformation of the Coordination Complex [Co(C3S5)(2)](2-) From a Molecular Magnet to a Potential Qubit, 6160-6166. Vol. 7, Iss. 9. Chem. Sci., 2016. (DOI: 10.1039/c6sc02170k)
  • McDonald, Thomas M., Mason, Jarad A., Kong, Xueqian, Bloch, Eric D., Gygi, David, Dani, Alessandro, Crocellà, Valentina, Giordanino, Filippo, Odoh, Samuel O., Drisdell, Walter S., Vlaisavljevich, Bess, Dzubak, Allison L., Poloni, Roberta, Schnell, Sondre K., Planas, Nora, Lee, Kyuho, Pascal, Tod, Wan, Liwen F., Prendergast, David, Neaton, Jeffrey B., Smit, Berend, Kortright, Jeffrey B., Gagliardi, Laura, Bordiga, Silvia, Reimer, Jeffrey A., and Long, Jeffrey R.. Cooperative insertion of CO2 in diamine-appended metal-organic frameworks, 303-308. Vol. 519, Iss. 7543. Nature, 2015. (DOI: 10.1038/nature14327)
  • Janda, Amber, Vlaisavljevich, Bess, Lin, Li-Chiang, Sharada, Shaama M., Smit, Berend, Head-Gordon, Martin, and Bell, Alexis T.. Adsorption Thermodynamics and Intrinsic Activation Parameters for Monomolecular Cracking of n-Alkanes on Bronsted Acid Sites in Zeolites, 10427-10438. Vol. 119, Iss. 19. J. Phys. Chem. C, 2015. (DOI: 10.1021/acs.jpcc.5b01715)
  • Qiu, Jie, Vlaisavljevich, Bess, Jouffret, Laurent, Nguyen, Kevin, Szymanowski, Jennifer E. S., Gagliardi, Laura, and Burns, Peter C.. Cation Templating and Electronic Structure Effects in Uranyl Cage Clusters Probed by the Isolation of Peroxide-Bridged Uranyl Dimers, 4445-4455. Vol. 54, Iss. 9. Inorg. Chem., 2015. (DOI: 10.1021/acs.inorgchem.5b00248)
  • Vlaisavljevich, Bess, Odoh, Samuel O., Schnell, Sondre K., Dzubak, Allison L., Lee, Kyuho, Planas, Nora, Neaton, Jeffrey B., Gagliardi, Laura, and Smit, Berend. CO2 induced phase transitions in diamine-appended metal-organic frameworks, 5177-5185. Vol. 6, Iss. 9. Chem. Sci., 2015. (DOI: 10.1039/c5sc01828e)
  • Hulvey, Zeric, Vlaisavljevich, Bess, Mason, Jarad A., Tsivion, Ehud, Dougherty, Timothy P., Bloch, Eric D., Head-Gordon, Martin, Smit, Berend, Long, Jeffrey R., and Brown, Craig M.. Critical Factors Driving the High Volumetric Uptake of Methane in Cu-3(btc)(2), 10816-10825. Vol. 137, Iss. 33. J. Am. Chem. Soc., 2015. (DOI: 10.1021/jacs.5b06657)
  • Drisdell, Walter S., Poloni, Roberta, McDonald, Thomas M., Pascal, Tod A., Wan, Liwen F., Das Pemmaraju, C., Vlaisavljevich, Bess, Odoh, Samuel O., Neaton, Jeffrey B., Long, Jeffrey R., Prendergastd, David, and Kortright, Jeffrey B.. Probing the mechanism of CO2 capture in diamine-appended metal-organic frameworks using measured and simulated X-ray spectroscopy, 21448-21457. Vol. 17, Iss. 33. Phys. Chem. Chem. Phys., 2015. (DOI: 10.1039/c5cp02951a)
  • Tyler, Sarah F., Natoli, Sean N., Vlaisavljevich, Bess, Fanwick, Phillip E., and Ren, Tong. Turning a New Leaf on Metal-TMC Chemistry: Ni-II(TMC) Acetylides, 10058-10064. Vol. 54, Iss. 20. Inorg. Chem., 2015. (DOI: 10.1021/acs.inorgchem.5b01883)
  • Lee, Jason S., Vlaisavljevich, Bess, Britt, David K., Brown, Craig M., Haranczyk, Maciej, Neaton, Jeffrey B., Smit, Berend, Long, Jeffrey R., and Queen, Wendy L.. Understanding Small-Molecule Interactions in Metal-Organic Frameworks: Coupling Experiment with Theory, 5785-5796. Vol. 27, Iss. 38. Adv. Mater., 2015. (DOI: 10.1002/adma.201500966)
  • Miro, Pere, Vlaisavljevich, Bess, Dzubak, Allison L., Hu, Shuxian, Burns, Peter C., Cramer, Christopher J., Spezia, Riccardo, and Gagliardi, Laura. Uranyl-Peroxide Nanocapsules in Aqueous Solution: Force Field Development and First Applications (vol 118, pg 24730, 2014), 15778-15778. Vol. 119, Iss. 27. JOURNAL OF PHYSICAL CHEMISTRY C, 2015. (DOI: 10.1021/acs.jpcc.5b05558)
  • Andrews, Lester, Wang, Xuefeng, Gong, Yu, Kushto, Gary P., Vlaisavljevich, Bess, and Gagliardi, Laura. Infrared Spectra and Electronic Structure Calculations for NN Complexes with U, UN, and NUN in Solid Argon, Neon, and Nitrogen, 5289-5303. Vol. 118, Iss. 28. J. Phys. Chem. A, 2014. (DOI: 10.1021/jp501637j)
  • Luo, Liang, Balhorn, Luke, Vlaisavljevich, Bess, Ma, Dongxia, Gagliardi, Laura, and Frisbie, C. D.. Hopping Transport and Rectifying Behavior in Long Donor-Acceptor Molecular Wires, 26485-26497. Vol. 118, Iss. 46. J. Phys. Chem. C, 2014. (DOI: 10.1021/jp507044n)
  • Miro, Pere, Vlaisavljevich, Bess, Dzubak, Allison L., Hu, Shuxian, Burns, Peter C., Cramer, Christopher J., Spezia, Riccardo, and Gagliardi, Laura. Uranyl-Peroxide Nanocapsules in Aqueous Solution: Force Field Development and First Applications, 24730-24740. Vol. 118, Iss. 42. J. Phys. Chem. C, 2014. (DOI: 10.1021/jp504147s)
  • Vlaisavljevich, Bess, Diaconescu, Paula L., Lukens, Wayne L., Gagliardi, Laura, and Cummins, Christopher C.. Investigations of the Electronic Structure of Arene-Bridged Diuranium Complexes, 1341-1352. Vol. 32, Iss. 5. Organomet., 2013. (DOI: 10.1021/om3010367)
  • Andrews, Lester, Wang, Xuefeng, Gong, Yu, Vlaisavljevich, Bess, and Gagliardi, Laura. Infrared Spectra and Electronic Structure Calculations for the NUN(NN)(1-5) and NU(NN)(1-6) Complexes in Solid Argon, 9989-9993. Vol. 52, Iss. 17. Inorg. Chem., 2013. (DOI: 10.1021/ic401857u)
  • Vlaisavljevich, Bess, Miro, Pere, Ma, Dongxia, Sigmon, Ginger E., Burns, Peter C., Cramer, Christopher J., and Gagliardi, Laura. Synthesis and Characterization of the First 2D Neptunyl Structure Stabilized by Side-on CationCation Interactions, 2937-2941. Vol. 19, Iss. 9. Chem. Eur. J, 2013. (DOI: 10.1002/chem.201204149)
  • Vlaisavljevich, Bess, Miro, Pere, Koballa, Drew, Todorova, Tanya K., Daly, Scott R., Girolami, Gregory S., Cramer, Christopher J., and Gagliardi, Laura. Volatilities of Actinide and Lanthanide N,N-Dimethylaminodiboranate Chemical Vapor Deposition Precursors: A DFT Study, 23194-23200. Vol. 116, Iss. 44. J. Phys. Chem. C, 2012. (DOI: 10.1021/jp305691y)
  • Wang, Xuefeng, Andrews, Lester, Vlaisavljevich, Bess, and Gagliardi, Laura. Combined Triple and Double Bonds to Uranium: The N U=N-H Uranimine Nitride Molecule Prepared in Solid Argon, 3826-3831. Vol. 50, Iss. 8. Inorg. Chem., 2011. (DOI: 10.1021/ic2003244)
  • Vlaisavljevich, Bess, Miro, Pere, Cramer, Christopher J., Gagliardi, Laura, Infante, Ivan, and Liddle, Stephen T.. On the Nature of Actinide- and Lanthanide-Metal Bonds in Heterobimetallic Compounds, 8424-8433. Vol. 17, Iss. 30. Chem. Eur. J, 2011. (DOI: 10.1002/chem.201100774)
  • Vlaisavljevich, Bess, Gagliardi, Laura, Wang, Xuefeng, Liang, Binyong, Andrews, Lester, and Infante, Ivan. U and P-4 Reaction Products: A Quantum Chemical and Matrix Isolation Spectroscopic Investigation, 9230-9235. Vol. 49, Iss. 20. Inorg. Chem., 2010. (DOI: 10.1021/ic100407e)
  • Vlaisavljevich, Bess, Gagliardi, Laura, and Burns, Peter C.. Understanding the Structure and Formation of Uranyl Peroxide Nanoclusters by Quantum Chemical Calculations, 14503-14508. Vol. 132, Iss. 41. J. Am. Chem. Soc., 2010. (DOI: 10.1021/ja104964x)
  • Cho, Han-Gook, Andrews, Lester, Vlaisavljevich, Bess, and Gagliardi, Laura. Infrared Spectra of Small Insertion and Methylidene Complexes in Reactions of Laser-Ablated Nickel Atoms with Halomethanes, 5623-5632. Vol. 28, Iss. 19. Organomet., 2009. (DOI: 10.1021/om900498m)
  • Cho, Han-Gook, Andrews, Lester, Vlaisavljevich, Bess, and Gagliardi, Laura. Infrared Spectra of Small Insertion and Methylidene Complexes in Reactions of Laser-Ablated Palladium Atoms with Halomethanes, 6871-6879. Vol. 28, Iss. 24. Organomet., 2009. (DOI: 10.1021/om900750t)
  • Alia, Joseph D., Vlaisavljevich, Bess, Abbot, Matthew, Warneke, Hallie, and Mastin, Tyson. Prediction of molecular properties including symmetry from quantum-based molecular structural formulas, VIF, 9784-9795. Vol. 112, Iss. 40. J. Phys. Chem. A, 2008. (DOI: 10.1021/jp7120214)

Awards and Honors:

  • President's Award for Research Excellence, Early Career, University of South Dakota, 2020

Presentations:

  • Vlaisavljevich, Bess. Insights from Multireference Electron Correlation Methods in Transition Metal Chemistry. Presented at the Chemistry Department's Seminar Series, Baltimore, MD. (September 7, 2021)
  • Vlaisavljevich, Bess. Electronic structure and oxidation state in copper catalysts. Presented at the Computational and Theoretical Chemistry (CTC) PI Meeting, Virtual. (August 2, 2021)
  • Vlaisavljevich, Bess. Electronic structure and oxidation state in copper catalysts. Presented at the Molcas Developers Meeting, Virtual. (June 30, 2021)
  • Vlaisavljevich, Bess. CASPT2 molecular geometries of dichromium complexes. Presented at the Great Lakes Regional Meeting, Virtual. (June 7, 2021)
  • Vlaisavljevich, Bess. ow Can High Performance Computing Help Design Sustainable Polymers?. Presented at the Monthly Seminar Series, Virtual. (May 26, 2021)
  • Vlaisavljevich, Bess. Insights from Multireference Electron Correlation Methods in Transition Metal Chemistry. Presented at the Chemistry Department's Seminar Series, Virtual. (April 16, 2021)
  • Vlaisavljevich, Bess. Electronic structure and oxidation state in a copper catalyst. Presented at the Spring National Meeting, Virtual. (April 14, 2021)
  • Vlaisavljevich, Bess. Electronic structure and oxidation state in copper catalysts.. Presented at the Chemistry Department's Seminar Series, Virtual. (April 12, 2021)
  • Vlaisavljevich, Bess. Understanding Sustainable Polymers with Computational Chemistry. Presented at the Office of Sponsored Research (ORSP)'s Brown Bag Lunch Series, Virtual. (March 9, 2021)
  • Vlaisavljevich, Bess. Electronic Structure and Oxidation State in Copper Catalysts. Presented at the PTC Seminar Series, Virtual. (March 9, 2021)
  • Vlaisavljevich, Bess. Ligand Effects on Decarbonylation of Palladium-Acyl Complexes.. Presented at the 5th International Conference on Catalysis and Chemical Engineering (CCE), Virtual. (February 25, 2021)
  • Vlaisavljevich, Bess. CASPT2 Molecular Geometries of Transition Metal Complexes. Presented at the Fall Research Symposium, Virtual. (September 21, 2020)
  • Vlaisavljevich, Bess. CASPT2 Molecular Geometries of Late Transition Metal Complexes. Presented at the Virtual 260th American Chemical Society National Meeting, Online. (August 17, 2020)
  • Vlaisavljevich, Bess. Ligand-Centered Borenium Reactivity in Triaminoborane-Bridged Diphonphine Complexes. Presented at the Virtual 260th American Chemical Society National Meeting, Online. (August 17, 2020)
  • Vlaisavljevich, Bess. CASPT2 Molecular Geometries and Electronic Structures of Transition Metal Complexes. Presented at the Computational and Theoretical Chemistry (CTC) Virtual PI Meeting, Virtual. (July 16, 2020)
  • Vlaisavljevich, Bess. CASPT2 Molecular Geometries and Electronic Structures of Transition Metal Complexes. Presented at the 258th American Chemical Society National Meeting, San Diego, CA. (August 27, 2019)
  • Vlaisavljevich, Bess. Electronic Structure of Uranium Arene Interactions. Presented at the Midwest Regional Meeting, Ames, IA. (October 23, 2018)
  • Vlaisavljevich, Bess. Methane Storage in the Cu3(btc)2 Metal-Organic Framework. Presented at the Department Seminar at University of Minnesota Morris, Morris, MN. (September 25, 2018)
  • Vlaisavljevich, Bess. Methane Storage in the Cu3(btc)2 Metal-Organic Framework. Presented at the Department Seminar at St. Olaf University, Northfield, MN. (April 19, 2018)
  • Vlaisavljevich, Bess. Electronic Structure of Uranium Arene Interactions. Presented at the 255th ACS National Meeting, New Orleans, LA. (March 22, 2018)
  • Vlaisavljevich, Bess. Electronic Structure of Single Molecule Magnets. Presented at the ACS Great Lakes Regional Meeting, Fargo, ND. (June 26, 2017)