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	Pour les 85 documents Envoyer sur ORCID RSS ATOM Exporter BibTeX XML-TEI CSV RTF EndNote PDF HTML Export avancé	Page : Page précédente 1 2 3 Page suivante	triés par Pertinence Auteur A→Z Auteur Z→A Titre A→Z Titre Z→A Date de publication croissante Date de publication décroissante Date de dépôt croissante Date de dépôt décroissante

		Exploring Spin Distribution and Electronic Properties in FeN4-Graphene Catalysts with Edge Terminations Ismail Can Oguz , Frederic Jaouen , Tzonka Mineva Molecules, 2024, 29 (2), pp.479. ⟨10.3390/molecules29020479⟩ Article dans une revue hal-04449023v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Recent advances in 14N solid state NMR Dib Eddy , Tzonka Mineva , Bruno Alonso Annual Reports on NMR Spectroscopy, 2016, 87, pp.175-235. ⟨10.1016/bs.arnmr.2015.08.002⟩ Article dans une revue hal-01295010v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Structural analysis of phosphatidyl choline lipids and glycerol precursors Annick Goursot , Tzonka Mineva , Sailaja Krishnamurty , Dennis R. Salahub Canadian Journal of Chemistry, 2009, 87, pp.1261-1267,. ⟨10.1139/V09-056⟩ Article dans une revue hal-00418589v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Interaction of Hydrogen with Au Modified by Pd and Rh in View of Electrochemical Applications Fernanda Juarez, , German Soldano, , Elizabeth Santos , Hazar Guesmi , Frederik Tielens , et al. Computation, 2016, 4 (3), pp.26. ⟨10.3390/computation4030026⟩ Article dans une revue hal-01395929v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Theoretical and Experimental Local Reactivity Parameters of 3‑Substituted Coumarin Derivatives Nevena I. Petkova , Rositca D. Nikolova , Krassimir L. Kostov , Tzonka Mineva , Georgi N. Vayssilov Journal of Physical Chemistry A, 2014, 118, pp.11062. ⟨10.1021/jp508432c⟩ Article dans une revue hal-01227636v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Finding the Compromise between Brønsted Acidity and Mesoporosity in Hierarchical ZSM‐5 Zeolites Lucie Desmurs , Claudia Cammarano , Gaetan Ramona , Robin Gaumard , Tzonka Mineva , et al. ChemCatChem, 2023, French Conference on Catalysis 2022, 15 (11), pp.e202300167. ⟨10.1002/cctc.202300167⟩ Article dans une revue hal-04097455v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Strutinsky's shell-correction method in the extended Kohn-Sham scheme: Application to the ionization potential, electron affinity, electronegativity and chemical hardness of atoms Yavor I. Delchev , Alexander I. Kuleff , Jean Maruan , Tzonka Mineva , F. Zahariev J.-P. Juline et al. Recent Advances in the Theory of Chemical and Physical Systems, Springer, pp.159, 2006 Chapitre d'ouvrage hal-00385964v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Impact of nuclear quantum effects on the 13C nuclear shielding of linear carboxylates in water Fernand Louisnard , Tzonka Mineva , Jérôme Cuny Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2022, 141 (7), pp.36. ⟨10.1007/s00214-022-02894-6⟩ Article dans une revue hal-03740620v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		New synthesis routes and catalytic applications of ferrierite crystals. Part 1: 1,8-Diaminooctane as a new OSDA Enrico Catizzone , Massimo Migliori , Tzonka Mineva , Stijn van Daele , Valentin Valtchev , et al. Microporous and Mesoporous Materials, 2020, 296, pp.109987. ⟨10.1016/j.micromeso.2019.109987⟩ Article dans une revue hal-03035145v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Stability and Structures of Silver Subnanometer Clusters in EMT Zeolite with Maximum Aluminum Content Chiodo Sandro , Tzonka Mineva Journal of Physical Chemistry C, 2016, ⟨10.1021/acs.jpcc.6b00808⟩ Article dans une revue hal-01395924v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Zeolite Structure Direction: Identification, Strength and Involvement of Weak CH⋅⋅⋅O Hydrogen Bonds Tzonka Mineva , Eddy Dib , Arnold Gaje , Hugo Petitjean , Jean‐louis Bantigniès , et al. ChemPhysChem, 2020, 27, pp.149-153. ⟨10.1002/cphc.201900953⟩ Article dans une revue hal-02405117v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Third order energy derivative corrections to the Kohn-Sham orbital hardness tensor Tzonka Mineva Journal of Chemical Sciences, 2005, 117, pp.485. ⟨10.1007/BF02708353⟩ Article dans une revue hal-00385989v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Realistic Modelling of Dynamics at Nanostructured Interfaces Relevant to Heterogeneous Catalysis Kevin Rossi , Tzonka Mineva , Jean-Sebastien Filhol , Frederik Tielens , Hazar Guesmi Catalysts, 2022, Reactivity and Structural Dynamics of Transition-Metal Nano-Catalysts, 12 (1), pp.52. ⟨10.3390/catal12010052⟩ Article dans une revue hal-03526876v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Structural properties of Y-doped BaZrO3 as a function of dopant concentration and position: A density functional study Djamila Zeudmi Sahraoui , Tzonka Mineva Solid State Ionics, 2013, 232, pp.1-12. ⟨10.1016/j.ssi.2012.11.011⟩ Article dans une revue istex hal-00806519v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Identification of catalytic sites for oxygen reduction in iron- and nitrogen-doped graphene materials Andrea Zitolo , Vincent Goellner , Vanessa Armel , Moulay Tahar Sougrati , Tzonka Mineva , et al. Nature Materials, 2015, 14, pp.937-942. ⟨10.1038/nmat4367⟩ Article dans une revue hal-01188739v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Metadynamics combined with auxiliary density functional and density functional tight-binding methods: alanine dipeptide as a case study Jérôme Cuny , Kseniia Korchagina , Chemseddine Menakbi , Tzonka Mineva Journal of Molecular Modeling, 2017, 23 (72), ⟨10.1007/s00894-017-3265-4⟩ Article dans une revue hal-01510587v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		P-block single-metal-site tin/nitrogen-doped carbon fuel cell cathode catalyst for oxygen reduction reaction Fang Luo , Aaron Roy , Luca Silvioli , David Cullen , Andrea Zitolo , et al. Nature Materials, 2020, 19 (11), pp.1215-1223. ⟨10.1038/s41563-020-0717-5⟩ Article dans une revue hal-03740635v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Adsorption of ethylene on Si(100)-(2x1) reconstructed surface: molecular modeling and HREELS study Tzonka Mineva , Rachel Nathaniel , Krassimir L. Kostov , Wolf Widdra Nanoscience and Nanotechnology, 2006, 5, pp.67 Article dans une revue hal-00386007v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Effect of Dopant Nature on Structures and Lattice Dynamics of Proton conducting BaZrO3 Sahraoui Djamila Zeudmi , Tzonka Mineva Solid State Ionics, 2013, 253, pp.195-200. ⟨10.1016/j.ssi.2013.10.002⟩ Article dans une revue hal-00905537v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Understanding Active Sites in Pyrolyzed Fe–N–C Catalysts for Fuel Cell Cathodes by Bridging Density Functional Theory Calculations and 57 Fe Mössbauer Spectroscopy Tzonka Mineva , Ivana Matanovic , Plamen Atanassov , Moulay Tahar Sougrati , Lorenzo Stievano , et al. ACS Catalysis, 2019, 9 (10), pp.9359-9371. ⟨10.1021/acscatal.9b02586⟩ Article dans une revue hal-02292379v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		deMon2k Gerald Geudtner , Patrizia Calaminici , Javier Carmona-Espindola , J. M. del Campo , Victor Daniel Dominguez-Soria , et al. Wiley Interdisciplinary Reviews: Computational Molecular Science, 2012, 2, pp.548-555. ⟨10.1002/wcms.98⟩ Article dans une revue istex hal-00756268v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		DFT-based Conformational Analysis of a Phospholipid Molecule (DMPC) Sailaja Krishnamurty , Milen Stefanov , Tzonka Mineva , Sylvie Bégu , Jean-Marie Devoisselle , et al. Journal of Physical Chemistry B, 2008, 112, pp.13433-13442. ⟨10.1021/jp804934d⟩ Article dans une revue istex hal-00338505v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Diffusion of molecules in the bulk of a low density amorphous ice from molecular dynamics simulations Pierre Ghesquiere , Tzonka Mineva , Dahbia Talbi , Patrice Theulé , J. A. Noble , et al. Physical Chemistry Chemical Physics, 2015, 17, pp.11455. ⟨10.1039/c5cp00558b⟩ Article dans une revue hal-01227607v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Lipid Thermodynamics : Melting is Molecular Sailaja Krishnamurty , Milen Stefanov , Tzonka Mineva , Sylvie Bégu , Jean-Marie Devoisselle , et al. ChemPhysChem, 2008, 9, pp.2321-2324. ⟨10.1002/cphc.200800511⟩ Article dans une revue hal-00338534v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Periodic density functional study of Rh and Pd interaction with the (100)MgO surface Tzonka Mineva , Valentin Alexiev , Corinne Lacaze-Dufaure , Emilia Sicilia , Claude Mijoul , et al. Journal of Molecular Structure: THEOCHEM, 2009, 9 (1-3), pp.59-66. ⟨10.1016/j.theochem.2009.01.025⟩ Article dans une revue hal-00385953v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Geometrical and vibrartional features of adsorbed acetylene on Si(100)-(2x1) Rachel Nathaniel , Tzonka Mineva , Krassimir L. Kostov , Wolf Widdra Nanoscience and Nanotechnology, 2005, 5, pp.22 Article dans une revue hal-00385967v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Correction for dispersion and coulombic interactions in molecular clusters with density-functional derived methods : Application to polycyclic aromatic hydrocarbon Mathias Rapacioli , Fernand Spiegelman , Dahbia Talbi , Tzonka Mineva , Annick Goursot , et al. Journal of Chemical Physics, 2009, 130 (24), pp.244304-10. ⟨10.1063/1.3152882⟩ Article dans une revue hal-00418594v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		DFT-D Study of N-14 Nuclear Quadrupolar Interactions in Tetra-n-alkyl Ammonium Halide Crystals Eddy Dib , Bruno Alonso , Tzonka Mineva Journal of Physical Chemistry A, 2014, 118 (19), pp.3525-3533. ⟨10.1021/jp502858n⟩ Article dans une revue hal-01011041v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		14N Solid-State NMR: A sensitive probe of the local order in zeolites Dib Eddy , Tzonka Mineva , Philippe Gaveau , Bruno Alonso Physical Chemistry Chemical Physics, 2013, 15, pp.18349-18352. ⟨10.1039/C3CP51845K⟩ Article dans une revue hal-00873646v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Surface chemical states of cellulose, chitin and chitosan studied by density functional theory and high-resolution photoelectron spectroscopy Krassimir L. Kostov , Emmanuel Belamie , Bruno Alonso , Tzonka Mineva Bulgarian Chemical Communications, 2018, 50 (Special Issue J), pp.135-146 Article dans une revue hal-01897569v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

Filtrer vos résultats

Exploring Spin Distribution and Electronic Properties in FeN4-Graphene Catalysts with Edge Terminations

Recent advances in 14N solid state NMR

Structural analysis of phosphatidyl choline lipids and glycerol precursors

Interaction of Hydrogen with Au Modified by Pd and Rh in View of Electrochemical Applications

Theoretical and Experimental Local Reactivity Parameters of 3‑Substituted Coumarin Derivatives

Finding the Compromise between Brønsted Acidity and Mesoporosity in Hierarchical ZSM‐5 Zeolites

Strutinsky's shell-correction method in the extended Kohn-Sham scheme: Application to the ionization potential, electron affinity, electronegativity and chemical hardness of atoms

Impact of nuclear quantum effects on the 13C nuclear shielding of linear carboxylates in water

New synthesis routes and catalytic applications of ferrierite crystals. Part 1: 1,8-Diaminooctane as a new OSDA

Stability and Structures of Silver Subnanometer Clusters in EMT Zeolite with Maximum Aluminum Content

Zeolite Structure Direction: Identification, Strength and Involvement of Weak CH⋅⋅⋅O Hydrogen Bonds

Third order energy derivative corrections to the Kohn-Sham orbital hardness tensor

Realistic Modelling of Dynamics at Nanostructured Interfaces Relevant to Heterogeneous Catalysis

Structural properties of Y-doped BaZrO3 as a function of dopant concentration and position: A density functional study

Identification of catalytic sites for oxygen reduction in iron- and nitrogen-doped graphene materials

Metadynamics combined with auxiliary density functional and density functional tight-binding methods: alanine dipeptide as a case study

P-block single-metal-site tin/nitrogen-doped carbon fuel cell cathode catalyst for oxygen reduction reaction

Adsorption of ethylene on Si(100)-(2x1) reconstructed surface: molecular modeling and HREELS study

Effect of Dopant Nature on Structures and Lattice Dynamics of Proton conducting BaZrO3

Understanding Active Sites in Pyrolyzed Fe–N–C Catalysts for Fuel Cell Cathodes by Bridging Density Functional Theory Calculations and 57 Fe Mössbauer Spectroscopy

deMon2k

DFT-based Conformational Analysis of a Phospholipid Molecule (DMPC)

Diffusion of molecules in the bulk of a low density amorphous ice from molecular dynamics simulations

Lipid Thermodynamics : Melting is Molecular

Periodic density functional study of Rh and Pd interaction with the (100)MgO surface

Geometrical and vibrartional features of adsorbed acetylene on Si(100)-(2x1)

Correction for dispersion and coulombic interactions in molecular clusters with density-functional derived methods : Application to polycyclic aromatic hydrocarbon

DFT-D Study of N-14 Nuclear Quadrupolar Interactions in Tetra-n-alkyl Ammonium Halide Crystals

14N Solid-State NMR: A sensitive probe of the local order in zeolites

Surface chemical states of cellulose, chitin and chitosan studied by density functional theory and high-resolution photoelectron spectroscopy