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Bess Vlaisavljevich
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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
11232015
On the nature of actinide–and lanthanide–metal bonds in heterobimetallic compounds
B Vlaisavljevich, P Mirů, CJ Cramer, L Gagliardi, I Infante, ST Liddle
Chemistry–A European Journal 17 (30), 8424-8433, 2011
1232011
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
1202010
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
1162016
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
1062016
Defining the macromolecules of tomorrow through synergistic sustainable polymer research
FM Haque, JSA Ishibashi, CAL Lidston, H Shao, FS Bates, AB Chang, ...
Chemical Reviews 122 (6), 6322-6373, 2022
1012022
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
992020
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
922013
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
832016
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
822015
Adsorption Thermodynamics and Intrinsic Activation Parameters for Monomolecular Cracking of n-Alkanes on BrÝnsted 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
672015
Metal–ligand covalency enables room temperature molecular qubit candidates
MS Fataftah, MD Krzyaniak, B Vlaisavljevich, MR Wasielewski, ...
Chemical Science 10 (27), 6707-6714, 2019
662019
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
532011
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
522020
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
522018
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
522015
An N-Tethered Uranium(III) Arene Complex and the Synthesis of an Unsupported U–Fe Bond
S Fortier, JR Aguilar-Calderon, B Vlaisavljevich, AJ Metta-Magana, ...
Organometallics 36 (23), 4591-4599, 2017
492017
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
482017
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
472015
Uranium (III)-carbon multiple bonding supported by arene δ-bonding in mixed-valence hexauranium nanometre-scale rings
AJ Wooles, DP Mills, F Tuna, EJL McInnes, GTW Law, AJ Fuller, F Kremer, ...
Nature communications 9 (1), 2097, 2018
452018
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