| Cooperative insertion of CO2 in diamine-appended metal-organic frameworks TM McDonald, JA Mason, X Kong, ED Bloch, D Gygi, A Dani, V Crocella, ... Nature 519 (7543), 303-308, 2015 | 984 | 2015 |
| Understanding the structure and formation of uranyl peroxide nanoclusters by quantum chemical calculations B Vlaisavljevich, L Gagliardi, PC Burns Journal of the American Chemical Society 132 (41), 14503-14508, 2010 | 115 | 2010 |
| On the Nature of Actinide–and Lanthanide–Metal Bonds in Heterobimetallic Compounds B Vlaisavljevich, P Miró, CJ Cramer, L Gagliardi, I Infante, ST Liddle Chemistry–A European Journal 17 (30), 8424-8433, 2011 | 108 | 2011 |
| Nuclear energy gradients for internally contracted complete active space second-order perturbation theory: Multistate extensions B Vlaisavljevich, T Shiozaki Journal of chemical theory and computation 12 (8), 3781-3787, 2016 | 98 | 2016 |
| Force field development from periodic density functional theory calculations for gas separation applications using metal–organic frameworks R Mercado, B Vlaisavljevich, LC Lin, K Lee, Y Lee, JA Mason, DJ Xiao, ... The Journal of Physical Chemistry C 120 (23), 12590-12604, 2016 | 90 | 2016 |
| Investigations of the electronic structure of arene-bridged diuranium complexes B Vlaisavljevich, PL Diaconescu, WL Lukens Jr, L Gagliardi, CC Cummins Organometallics 32 (5), 1341-1352, 2013 | 84 | 2013 |
| Critical Factors Driving the High Volumetric Uptake of Methane in Cu3(btc)2 Z Hulvey, B Vlaisavljevich, JA Mason, E Tsivion, TP Dougherty, ED Bloch, ... Journal of the American Chemical Society 137 (33), 10816-10825, 2015 | 76 | 2015 |
| Effects of Zeolite Structural Confinement on Adsorption Thermodynamics and Reaction Kinetics for Monomolecular Cracking and Dehydrogenation of n-Butane A Janda, B Vlaisavljevich, LC Lin, B Smit, AT Bell Journal of the American Chemical Society 138 (14), 4739-4756, 2016 | 74 | 2016 |
| Multireference electron correlation methods: Journeys along potential energy surfaces JW Park, R Al-Saadon, MK MacLeod, T Shiozaki, B Vlaisavljevich Chemical Reviews 120 (13), 5878-5909, 2020 | 71 | 2020 |
| Adsorption Thermodynamics and Intrinsic Activation Parameters for Monomolecular Cracking of n-Alkanes on Brønsted Acid Sites in Zeolites A Janda, B Vlaisavljevich, LC Lin, S Mallikarjun Sharada, B Smit, ... The Journal of Physical Chemistry C 119 (19), 10427-10438, 2015 | 63 | 2015 |
| Combined Triple and Double Bonds to Uranium: The N U N− H Uranimine Nitride Molecule Prepared in Solid Argon X Wang, L Andrews, B Vlaisavljevich, L Gagliardi Inorganic Chemistry 50 (8), 3826-3831, 2011 | 52 | 2011 |
| Metal–ligand covalency enables room temperature molecular qubit candidates MS Fataftah, MD Krzyaniak, B Vlaisavljevich, MR Wasielewski, ... Chemical Science 10 (27), 6707-6714, 2019 | 49 | 2019 |
| An experimental and computational study of CO 2 adsorption in the sodalite-type M-BTT (M= Cr, Mn, Fe, Cu) metal–organic frameworks featuring open metal sites M Asgari, S Jawahery, ED Bloch, MR Hudson, R Flacau, B Vlaisavljevich, ... Chemical science 9 (20), 4579-4588, 2018 | 46 | 2018 |
| Cation templating and electronic structure effects in uranyl cage clusters probed by the isolation of peroxide-bridged uranyl dimers J Qiu, B Vlaisavljevich, L Jouffret, K Nguyen, JES Szymanowski, ... Inorganic chemistry 54 (9), 4445-4455, 2015 | 46 | 2015 |
| CO 2 induced phase transitions in diamine-appended metal–organic frameworks B Vlaisavljevich, SO Odoh, SK Schnell, AL Dzubak, K Lee, N Planas, ... Chemical science 6 (9), 5177-5185, 2015 | 44 | 2015 |
| Divergent Adsorption-Dependent Luminescence of Amino-Functionalized Lanthanide Metal–Organic Frameworks for Highly Sensitive NO2 Sensors A Gamonal, C Sun, AL Mariano, E Fernandez-Bartolome, ... The Journal of Physical Chemistry Letters 11 (9), 3362-3368, 2020 | 42 | 2020 |
| Hopping transport and rectifying behavior in long donor–acceptor molecular wires L Luo, L Balhorn, B Vlaisavljevich, D Ma, L Gagliardi, CD Frisbie The Journal of Physical Chemistry C 118 (46), 26485-26497, 2014 | 41 | 2014 |
| Performance of van der Waals Corrected Functionals for Guest Adsorption in the M2(dobdc) Metal–Organic Frameworks B Vlaisavljevich, J Huck, Z Hulvey, K Lee, JA Mason, JB Neaton, JR Long, ... The Journal of Physical Chemistry A 121 (21), 4139-4151, 2017 | 40 | 2017 |
| Understanding Small‐Molecule Interactions in Metal–Organic Frameworks: Coupling Experiment with Theory JS Lee, B Vlaisavljevich, DK Britt, CM Brown, M Haranczyk, JB Neaton, ... Advanced materials 27 (38), 5785-5796, 2015 | 40 | 2015 |
| Transformation of the coordination complex [Co (C 3 S 5) 2] 2− from a molecular magnet to a potential qubit MS Fataftah, SC Coste, B Vlaisavljevich, JM Zadrozny, DE Freedman Chemical Science 7 (9), 6160-6166, 2016 | 38 | 2016 |
Laura GagliardiThe University of ChicagoVerified email at uchicago.edu
