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Irina Flyagina
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Dielectric properties of zeolitic imidazolate frameworks in the broad-band infrared regime
MR Ryder, Z Zeng, K Titov, Y Sun, EM Mahdi, I Flyagina, TD Bennett, ...
The journal of physical chemistry letters 9 (10), 2678-2684, 2018
392018
DFT study of the oxygen reduction reaction on iron, cobalt and manganese macrocycle active sites
IS Flyagina, KJ Hughes, M Pourkashanian, DB Ingham
International journal of hydrogen energy 39 (36), 21538-21546, 2014
322014
Thermo-mechanical properties of mixed-matrix membranes encompassing zeolitic imidazolate framework-90 and polyvinylidine difluoride: ZIF-90/PVDF nanocomposites
IS Flyagina, EM Mahdi, K Titov, JC Tan
APL Materials 5 (8), 2017
302017
Nanomechanical behavior and interfacial deformation beyond the elastic limit in 2D metal–organic framework nanosheets
Z Zeng, IS Flyagina, JC Tan
Nanoscale Advances 2 (11), 5181-5191, 2020
232020
The study of H/D isotope‐dependent order–disorder transition in crystalline α‐chromous acid using quantum‐chemical modeling
SP Dolin, IS Flyagina, MV Tremasova, TY Mikhailova, AB Gavrilyuk, ...
International Journal of Quantum Chemistry 107 (13), 2409-2416, 2007
202007
Identifying the Catalytic Active Sites in Heteroatom‐Doped Graphene for the Oxygen Reduction Reaction
IS Flyagina, KJ Hughes, DC Mielczarek, DB Ingham, M Pourkashanian
Fuel Cells 16 (5), 568-576, 2016
152016
Quantum-chemical simulation of the adsorption-induced reduction of strength of siloxane bonds
IS Flyagina, AI Malkin, SP Dolin
Journal of molecular modeling 25 (6), 161, 2019
72019
A theoretical study of molecular oxygen chemisorption on N, B, or O doped carbon edge sites
IS Flyagina, KJ Hughes, M Pourkashanian, DB Ingham
Fuel Cells 14 (5), 709-719, 2014
72014
Charge transfer and interface properties in inorganic superstructures and composites
IS Flyagina, AA Petrov, VS Pervov
Russian Chemical Reviews 85 (6), 610, 2016
52016
A theoretical investigation into the comparative adsorption between dissolved oxygen and oxygenate species on zeolite 3.7 Å during aviation fuel treatment for thermal stability …
E Alborzi, IS Flyagina, DC Mielczarek, SG Blakey, M Pourkashanian
Fuel 317, 123451, 2022
42022
Theoretical and experimental investigation of alternative cathode catalysts for proton exchange membrane fuel cells
IS Flyagina
University of Leeds, 2014
12014
Effect of Zeolite 3.7 ̊ A coated monoliths on improvement of aviation fuel thermal oxidative stability
E Alborzi, X Yong, M Roostaeinia, DC Mielczarek, IS Flyagina, SG Blakey, ...
Fuel 360, 130498, 2024
2024
Metastable aluminum boride: density functional theory study of prerequisites of formation
IS Flyagina, AA Markov, AI Malkin, DA Popov, VN Chuvildeev
International Journal of Quantum Chemistry 123 (22), e27219, 2023
2023
Comparison of Selectivity-Reactivity of Zeolite Coated Monoliths on Improvement of Aviation Fuel Thermal Stability
E Alborzi, SG Blakey, IS Flyagina, DC Mielczarek, M Pourkashanian
17th International Conference on Stability Handling and Use of Liquid Fuels …, 2022
2022
Quantum-Chemical Modeling of the Effect of Stretching Mechanical Activation of the Central С–С Bonds in Linear Polymers
IS Flyagina, SP Dolin, AI Malkin, VI Savenko
Russian Journal of Physical Chemistry A 93, 1073-1081, 2019
2019
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