Artykuły udostępnione publicznie: - Tzonka MinevaWięcej informacji
Niedostępny w żadnym miejscu: 1
Cluster Structures: Bridging Experiment and Theory
F Janetzko, A Goursot, T Mineva, P Calaminici, R Flores-Moreno, ...
Science and Technology of Atomic, Molecular, Condensed Matter & Biological …, 2010
Upoważnienia: German Research Foundation
Dostępne w jakimś miejscu: 18
Identification of durable and non-durable FeNx sites in Fe–N–C materials for proton exchange membrane fuel cells
J Li, MT Sougrati, A Zitolo, JM Ablett, IC Oğuz, T Mineva, I Matanovic, ...
Nature Catalysis 4 (1), 10-19, 2021
Upoważnienia: US Department of Energy, Slovenian Research Agency, Agence Nationale de la …
P-block single-metal-site tin/nitrogen-doped carbon fuel cell cathode catalyst for oxygen reduction reaction
F Luo, A Roy, L Silvioli, DA Cullen, A Zitolo, MT Sougrati, IC Oguz, ...
Nature materials 19 (11), 1215-1223, 2020
Upoważnienia: US Department of Energy, German Research Foundation, Danish National …
Understanding Active Sites in Pyrolyzed Fe–N–C Catalysts for Fuel Cell Cathodes by Bridging Density Functional Theory Calculations and 57Fe Mössbauer …
T Mineva, I Matanovic, P Atanassov, MT Sougrati, L Stievano, ...
Acs Catalysis 9 (10), 9359-9371, 2019
Upoważnienia: US Department of Energy, Agence Nationale de la Recherche
Molecular simulations with in-deMon2k QM/MM, a tutorial-review
A de La Lande, A Alvarez-Ibarra, K Hasnaoui, F Cailliez, X Wu, T Mineva, ...
Molecules 24 (9), 1653, 2019
Upoważnienia: Natural Sciences and Engineering Research Council of Canada, Agence …
DFT simulation of XPS reveals Cu/epoxy polymer interfacial bonding
T Duguet, A Gavrielides, J Esvan, T Mineva, C Lacaze-Dufaure
The Journal of Physical Chemistry C 123 (51), 30917-30925, 2019
Upoważnienia: Agence Nationale de la Recherche
Two bonding configurations of acetylene on Si (001)-(2× 1): A combined high-resolution electron energy loss spectroscopy and density functional theory study
T Mineva, R Nathaniel, KL Kostov, W Widdra
The Journal of chemical physics 125 (19), 2006
Upoważnienia: German Research Foundation
Vibrational characterization of ethylene adsorption and its thermal evolution on Si (001)-(2× 1): Identification of majority and minority species
KL Kostov, R Nathaniel, T Mineva, W Widdra
The Journal of chemical physics 133 (5), 2010
Upoważnienia: German Research Foundation
Host–guest silicalite-1 zeolites: Correlated disorder and phase transition inhibition by a small guest modification
M Fabbiani, S Al-Nahari, L Piveteau, E Dib, V Veremeienko, A Gaje, ...
Chemistry of Materials 34 (1), 366-387, 2021
Upoważnienia: Swiss National Science Foundation, Agence Nationale de la Recherche
Synergistic sorption of mixed solvents in wood cell walls: experimental and theoretical approach
SM Aguilera‐Segura, J Bossu, S Corn, P Trens, T Mineva, N Le Moigne, ...
Macromolecular Symposia 386 (1), 1900022, 2019
Upoważnienia: Agence Nationale de la Recherche
Orbital hardness tensors from hydrogen through xenon from Kohn–Sham perturbed orbitals
T Mineva, T Heine
International journal of quantum chemistry 106 (6), 1396-1405, 2006
Upoważnienia: German Research Foundation
Coupling density functional based tight binding with class 1 force fields in a hybrid QM/MM scheme
M Yusef Buey, T Mineva, M Rapacioli
Theoretical Chemistry Accounts 141 (3), 16, 2022
Upoważnienia: Agence Nationale de la Recherche
Interaction of hydrogen with Au modified by Pd and Rh in view of electrochemical applications
F Juarez, G Soldano, E Santos, H Guesmi, F Tielens, T Mineva
Computation 4 (3), 26, 2016
Upoważnienia: German Research Foundation, Government of Argentina
Ubiquitous Presence of Intermolecular CH… O Hydrogen Bonds in As‐synthesized Host‐Guest Zeolite Materials
S Al‐Nahari, K Ata, T Mineva, B Alonso
ChemistrySelect 6 (37), 9728-9734, 2021
Upoważnienia: Agence Nationale de la Recherche
Exploring Spin Distribution and Electronic Properties in FeN4-Graphene Catalysts with Edge Terminations
IC Oguz, F Jaouen, T Mineva
Molecules 29 (2), 2024
Upoważnienia: Agence Nationale de la Recherche
DFT Atomic‐Scale Insight into Pt/Cu Single Atom Alloy Clusters Supported on γ‐Al2O3: The Effect of Hydrogen Environment
M Shahrokhi, T Mineva, A Benabbas, C Especel, A Le Valant, C Ricolleau, ...
ChemCatChem 16 (18), e202400565, 2024
Upoważnienia: Agence Nationale de la Recherche
Strength of London Dispersion Forces in Organic Structure Directing Agent—Zeolite Assemblies
K Ata, T Mineva, B Alonso
Molecules 29 (18), 4489, 2024
Upoważnienia: Agence Nationale de la Recherche
Temperature driven transformations of glycine molecules embedded in interstellar ice
M Yusef-Buey, T Mineva, D Talbi, M Rapacioli
Physical Chemistry Chemical Physics 26 (3), 2414-2425, 2024
Upoważnienia: Agence Nationale de la Recherche
Ubiquitous presence of intermolecular CH… O hydrogen bonds in as-synthesized zeolite materials
S Al Nahari, K Ata, T Mineva, B Alonso
Upoważnienia: Agence Nationale de la Recherche
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