フォロー
Allison Dzubak
Allison Dzubak
Assistant Professor of Chemistry, Bowdoin College
確認したメール アドレス: bowdoin.edu
タイトル
引用先
引用先
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
8992015
Oxidation of ethane to ethanol by N 2 O in a metal–organic framework with coordinatively unsaturated iron (II) sites
DJ Xiao, ED Bloch, JA Mason, WL Queen, MR Hudson, N Planas, ...
Nature chemistry 6 (7), 590-595, 2014
3552014
Ab initio carbon capture in open-site metal–organic frameworks
AL Dzubak, LC Lin, J Kim, JA Swisher, R Poloni, SN Maximoff, B Smit, ...
Nature chemistry 4 (10), 810-816, 2012
3062012
The mechanism of carbon dioxide adsorption in an alkylamine-functionalized metal–organic framework
N Planas, AL Dzubak, R Poloni, LC Lin, A McManus, TM McDonald, ...
Journal of the American Chemical Society 135 (20), 7402-7405, 2013
2012013
Reversible CO Binding Enables Tunable CO/H2 and CO/N2 Separations in Metal–Organic Frameworks with Exposed Divalent Metal Cations
ED Bloch, MR Hudson, JA Mason, S Chavan, V Crocellà, JD Howe, K Lee, ...
Journal of the American Chemical Society 136 (30), 10752-10761, 2014
1762014
Design of a Metal–Organic Framework with Enhanced Back Bonding for Separation of N2 and CH4
K Lee, WC Isley III, AL Dzubak, P Verma, SJ Stoneburner, LC Lin, ...
Journal of the American Chemical Society 136 (2), 698-704, 2014
1472014
A Combined Spectroscopic and Computational Study of a High-Spin S = 7/2 Diiron Complex with a Short Iron–Iron Bond
CM Zall, D Zherebetskyy, AL Dzubak, E Bill, L Gagliardi, CC Lu
Inorganic Chemistry 51 (1), 728-736, 2012
622012
CO2 Adsorption in Fe2(dobdc): A Classical Force Field Parameterized from Quantum Mechanical Calculations
J Borycz, LC Lin, ED Bloch, J Kim, AL Dzubak, R Maurice, D Semrouni, ...
The Journal of Physical Chemistry C 118 (23), 12230-12240, 2014
562014
Assessing Metal–Metal Multiple Bonds in Cr Cr, Mo Mo, and W W Compounds and a Hypothetical U U Compound: A Quantum Chemical Study Comparing DFT and Multireference Methods
G Li Manni, AL Dzubak, A Mulla, DW Brogden, JF Berry, L Gagliardi
Chemistry–A European Journal 18 (6), 1737-1749, 2012
542012
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
422015
Uranyl–peroxide nanocapsules in aqueous solution: force field development and first applications
P Miró, B Vlaisavljevich, AL Dzubak, S Hu, PC Burns, CJ Cramer, ...
The Journal of Physical Chemistry C 118 (42), 24730-24740, 2014
282014
Quantitative estimation of localization errors of 3d transition metal pseudopotentials in diffusion Monte Carlo
AL Dzubak, JT Krogel, FA Reboredo
The Journal of Chemical Physics 147 (2), 024102, 2017
182017
MnNiO3 revisited with modern theoretical and experimental methods
AL Dzubak, C Mitra, M Chance, S Kuhn, GE Jellison Jr, AS Sefat, ...
The Journal of Chemical Physics 147 (17), 174703, 2017
102017
revisited with a many-body ab initio theoretical approach
T Ichibha, AL Dzubak, JT Krogel, VR Cooper, FA Reboredo
Physical Review Materials 5 (6), 064006, 2021
32021
Correction: CO 2 induced phase transitions in diamine-appended metal–organic frameworks
B Vlaisavljevich, SK Schnell, AL Dzubak, K Lee, N Planas, JB Neaton, ...
Chemical science 10 (35), 8265-8272, 2019
12019
Diffusion quantum Monte Carlo study of halogen and chromium-halogen complexes
A Dzubak, J Krogel, V Cooper, F Reboredo
APS March Meeting Abstracts 2018, Y03. 007, 2018
2018
Quantitative characterization of the errors of the 3d-transition-metal pseudopotentials in Diffusion Monte Carlo
A Dzubak, J Krogel, F Reboredo
APS March Meeting Abstracts 2017, C26. 002, 2017
2017
Computational Modeling of Gas Adsorption, Separation, and Reactivity within Coordinatively Unsaturated Metal-Organic Framework Materials
AL Dzubak
University of Minnesota, 2015
2015
Tunable CO/H
MR Hudson, CM Brown, ED Bloch, JA Mason, S Chavan, V Crocellà, ...
2014 NIST Center for Neutron Research Accomplishments and Opportunities, 12, 2014
2014
New insights on carbon dioxide reactions with N, N'-dimethylethylenediamine (mmen)
N Magee, N Planas, A Dzubak, A McManus, L Gagliardi
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 247, 2014
2014
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