Bess Vlaisavljevich

Bess Vlaisavljevich

Assistant Professor

CHEMISTRY

CHEMISTRY DEPARTMENT

Phone: (605) 677-5487

Email: Bess.Vlaisavljevich@usd.edu

Website: http://quantumcoyote.github.io/vlaisavljevich/

Bio:

Dr. Vlaisavljeich recieved her 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

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.

  • 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. NATURE COMMUNICATIONS, 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. JOURNAL OF PHYSICAL CHEMISTRY C, 2017. (DOI: 10.1021/acs.jpcc.6b09703)
  • 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. CRYSTENGCOMM, 2017. (DOI: 10.1039/c7ce00589j)
  • 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. INORGANIC CHEMISTRY, 2017. (DOI: 10.1021/acs.inorgchem.7b00923)
  • 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. JOURNAL OF PHYSICAL CHEMISTRY A, 2017. (DOI: 10.1021/acs.jpca.7b00076)
  • 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. The Journal of Physical Chemistry 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. Journal of the American Chemical Society, 2016. (DOI: 10.1021/jacs.5b10458)
  • 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. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 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. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016. (DOI: 10.1021/acs.jctc.6b00572)
  • Miro Ramirez, 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. CHEMISTRY-A EUROPEAN JOURNAL, 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. CHEMICAL SCIENCE, 2016. (DOI: 10.1039/c6sc02170k)
  • 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. JOURNAL OF PHYSICAL CHEMISTRY 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. INORGANIC CHEMISTRY, 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. CHEMICAL SCIENCE, 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. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 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. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 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. INORGANIC CHEMISTRY, 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. ADVANCED MATERIALS, 2015. (DOI: 10.1002/adma.201500966)
  • 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. The Journal of Physical Chemistry 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. JOURNAL OF PHYSICAL CHEMISTRY C, 2014. (DOI: 10.1021/jp507044n)
  • Miro Ramirez, 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. JOURNAL OF PHYSICAL CHEMISTRY 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. Organometallics, 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. INORGANIC CHEMISTRY, 2013. (DOI: 10.1021/ic401857u)
  • Vlaisavljevich, Bess, Miro Ramirez, 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. CHEMISTRY-A EUROPEAN JOURNAL, 2013. (DOI: 10.1002/chem.201204149)
  • Vlaisavljevich, Bess, Miro Ramirez, 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. JOURNAL OF PHYSICAL CHEMISTRY 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. INORGANIC CHEMISTRY, 2011. (DOI: 10.1021/ic2003244)
  • Vlaisavljevich, Bess, Miro Ramirez, 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. CHEMISTRY-A EUROPEAN JOURNAL, 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. INORGANIC CHEMISTRY, 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. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 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. ORGANOMETALLICS, 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. ORGANOMETALLICS, 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. JOURNAL OF PHYSICAL CHEMISTRY A, 2008. (DOI: 10.1021/jp7120214)
  • 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. Organometallics. (DOI: 10.1021/acs.organomet.7b00429)
  • 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. (DOI: 10.1038/nature14327)