| Enantioselective Copper‐Catalyzed Carboetherification of Unactivated Alkenes MT Bovino, TW Liwosz, NE Kendel, Y Miller, N Tyminska, E Zurek, ... Angewandte Chemie 126 (25), 6501-6505, 2014 | 102 | 2014 |
| Insights into the stability of zeolitic imidazolate frameworks in humid acidic environments from first-principles calculations C Han, C Zhang, N Tyminska, JR Schmidt, DS Sholl The Journal of Physical Chemistry C 122 (8), 4339-4348, 2018 | 58 | 2018 |
| The Dynamic Equilibrium Between (AlOMe)n Cages and (AlOMe)n·(AlMe3)m Nanotubes in Methylaluminoxane (MAO): A First-Principles Investigation Z Falls, N Tyminska, E Zurek Macromolecules 47 (24), 8556-8569, 2014 | 48 | 2014 |
| Water oxidation on oxygen-deficient barium titanate: a first-principles study N Tymińska, G Wu, M Dupuis The Journal of Physical Chemistry C 121 (15), 8378-8389, 2017 | 40 | 2017 |
| Influence of hydrogen sulfide exposure on the transport and structural properties of the metal–organic framework ZIF-8 A Dutta, N Tymińska, G Zhu, J Collins, RP Lively, JR Schmidt, S Vasenkov The Journal of Physical Chemistry C 122 (13), 7278-7287, 2018 | 32 | 2018 |
| Benzene derivatives adsorbed to the Ag (111) surface: Binding sites and electronic structure DP Miller, S Simpson, N Tymińska, E Zurek The Journal of Chemical Physics 142 (10), 2015 | 29 | 2015 |
| DFT-D investigation of active and dormant methylaluminoxane (MAO) species grafted onto a magnesium dichloride cluster: A model study of supported mao N Tyminska, E Zurek Acs Catalysis 5 (11), 6989-6998, 2015 | 24 | 2015 |
| Propagation of degradation-induced defects in zeolitic imidazolate frameworks R Han, N Tyminska, JR Schmidt, DS Sholl The Journal of Physical Chemistry C 123 (11), 6655-6666, 2019 | 20 | 2019 |
| Electronic Structure of Iron Porphyrin Adsorbed to the Pt (111) Surface DP Miller, J Hooper, S Simpson, PS Costa, N Tyminska, SM McDonnell, ... The Journal of Physical Chemistry C 120 (51), 29173-29181, 2016 | 17 | 2016 |
| Optoelectronic Structure and Photocatalytic Applications of Na(Bi,La)S2 Solid Solutions with Tunable Band Gaps A BaQais, N Tymińska, T Le Bahers, K Takanabe Chemistry of Materials 31 (9), 3211-3220, 2019 | 15 | 2019 |
| Full in silico DFT characterization of lanthanum and yttrium based oxynitride semiconductors for solar fuels AT Garcia-Esparza, N Tymińska, RAR Al Orabi, T Le Bahers Journal of Materials Chemistry C 7 (6), 1612-1621, 2019 | 13 | 2019 |
| Interplay between electronic, magnetic, and transport properties in metal organic–radical frameworks N Tymińska, M Kepenekian The Journal of Physical Chemistry C 125 (20), 11225-11234, 2021 | 3 | 2021 |
| Mind the correct basis set: A case study for predicting gas phase acidities of small compounds using calculations from first principles N Tymińska, M Włoch, AT Royappa International Journal of Quantum Chemistry 115 (1), 42-49, 2015 | 3 | 2015 |
| Electrophilic and nucleophilic gas phase reactivity of the Janus cluster-based anions [{Mo 6 Cl 8} Cl 5□]−(□= lacuna) A Denis, N Tymínska, T Delhaye, Y Molard, P Gerbaux, J De Winter, ... Chemical Communications 59 (41), 6243-6246, 2023 | 1 | 2023 |
| Synthesis, structure and properties of tris (1-ethyl-4-isopropyl-imidazolyl-κN) phosphine copper (II) J Li, CN Morrison, MA Molenda, T Suvarna, N Tymińska, WW Brennessel, ... Inorganica Chimica Acta 434, 79-84, 2015 | 1 | 2015 |
| Synthesis, structure, and properties of bis (2-(1-ethyl-1H-imidazol-4-yl) acetate) copper (II) A Banerjee, J Li, JB Fugitt, DJ Averill, AT Rumschlag, N Tyminska, ... Inorganica Chimica Acta 405, 295-301, 2013 | 1 | 2013 |
| Computational Model of Defect Propagation Mechanisms in ZIF-8 R Han, N Tyminska, D Sholl, JR Schmidt 2018 AIChE Annual Meeting, 2018 | | 2018 |
| Computational methodology for full in silico design of new semiconductors for water splitting: A DFT study of YTaON2 and YTiO2N N Tymińska, T Le Bahers, RAR Al Orabi, AT Garcia-Esparza EMRS, 2018 | | 2018 |
| Computational investigation of acid-gas induced degradation mechanism of zeolitic imidazolate frameworks C Han, C Zhang, N Tyminska, D Sholl, J Schmidt ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017 | | 2017 |
| Benzene Derivatives Adsorbed to the Ag (111) Surface: A Binding Site Study D Miller, S Simpson, N Tyminska, E Zurek APS March Meeting Abstracts 2015, H1. 117, 2015 | | 2015 |
