| Synthesis, structural studies, theoretical calculations, and linear and nonlinear optical properties of terpyridyl lanthanide complexes: new evidence for the contribution of f … K Sénéchal-David, A Hemeryck, N Tancrez, L Toupet, JAG Williams, ... Journal of the American Chemical Society 128 (37), 12243-12255, 2006 | 127 | 2006 |
| Ambient Humidity Influence on CO Detection with SnO2 Gas Sensing Materials. A Combined DRIFTS/DFT Investigation S Wicker, M Guiltat, U Weimar, A Hémeryck, N Barsan The Journal of Physical Chemistry C 121 (45), 25064-25073, 2017 | 103 | 2017 |
| Simulation of single particle displacement damage in silicon–Part II: Generation and long-time relaxation of damage structure A Jay, M Raine, N Richard, N Mousseau, V Goiffon, A Hémeryck, ... IEEE Transactions on Nuclear Science 64 (1), 141-148, 2016 | 78 | 2016 |
| Elementary surface chemistry during CuO/Al nanolaminate-thermite synthesis: copper and oxygen deposition on aluminum (111) surfaces C Lanthony, M Guiltat, JM Ducéré, A Verdier, A Hémeryck, ... ACS applied materials & interfaces 6 (17), 15086-15097, 2014 | 62 | 2014 |
| A computational chemist approach to gas sensors: Modeling the response of SnO2 to CO, O2, and H2O Gases JM Ducéré, A Hemeryck, A Estève, MD Rouhani, G Landa, P Ménini, ... Journal of computational chemistry 33 (3), 247-258, 2012 | 62 | 2012 |
| On the early stage of aluminum oxidation: An extraction mechanism via oxygen cooperation C Lanthony, JM Ducéré, MD Rouhani, A Hemeryck, A Estève, C Rossi The Journal of chemical physics 137 (9), 2012 | 61 | 2012 |
| Basics of semiconducting metal oxide–based gas sensors A Oprea, D Degler, N Barsan, A Hémeryck, J Rebholz Gas sensors based on conducting metal oxides, 61-165, 2019 | 41 | 2019 |
| Diffusion of oxygen atom in the topmost layer of the Si (1 0 0) surface: Structures and oxidation kinetics A Hemeryck, N Richard, A Estève, MD Rouhani Surface science 601 (11), 2339-2343, 2007 | 41 | 2007 |
| Finding reaction pathways and transition states: r-ARTn and d-ARTn as an efficient and versatile alternative to string approaches A Jay, C Huet, N Salles, M Gunde, L Martin-Samos, N Richard, G Landa, ... Journal of Chemical Theory and Computation 16 (10), 6726-6734, 2020 | 40 | 2020 |
| Difficulty for oxygen to incorporate into the silicon network during initial O2 oxidation of Si (100)-(2× 1) A Hemeryck, AJ Mayne, N Richard, A Estève, YJ Chabal, ... The Journal of chemical physics 126 (11), 2007 | 40 | 2007 |
| Insight into the bonding of silanols to oxidized aluminum surfaces M Poberžnik, D Costa, A Hemeryck, A Kokalj The Journal of Physical Chemistry C 122 (17), 9417-9431, 2018 | 35 | 2018 |
| DFT-D study of adsorption of diaminoethane and propylamine molecules on anatase (101) TiO2 surface A Hémeryck, A Motta, C Lacaze-Dufaure, D Costa, P Marcus Applied Surface Science 426, 107-115, 2017 | 31 | 2017 |
| Nanoindentation of NiAl and Ni3Al crystals on (100),(110), and (111) surfaces: A molecular dynamics study R Seymour, A Hemeryck, K Nomura, W Wang, RK Kalia, A Nakano, ... Applied Physics Letters 104 (14), 2014 | 28 | 2014 |
| Simulation of single-particle displacement damage in silicon—Part III: First principle characterization of defect properties A Jay, A Hémeryck, N Richard, L Martin-Samos, M Raine, A Le Roch, ... IEEE Transactions on Nuclear Science 65 (2), 724-731, 2018 | 26 | 2018 |
| Role of alumina coatings for selective and controlled bonding of DNA on technologically relevant oxide surfaces T Calais, B Playe, JM Ducéré, JF Veyan, S Rupich, A Hemeryck, ... The Journal of Physical Chemistry C 119 (41), 23527-23543, 2015 | 25 | 2015 |
| Dioxygen molecule adsorption and oxygen atom diffusion on clean and defective aluminum (111) surface using first principles calculations M Guiltat, M Brut, S Vizzini, A Hémeryck Surface Science 657, 79-89, 2017 | 21 | 2017 |
| Fundamental steps towards interface amorphization during silicon oxidation: Density functional theory calculations A Hémeryck, A Estève, N Richard, M Djafari Rouhani, YJ Chabal Physical Review B—Condensed Matter and Materials Physics 79 (3), 035317, 2009 | 21 | 2009 |
| A kinetic Monte Carlo study of the initial stage of silicon oxidation: Basic mechanisms-induced partial ordering of the oxide interfacial layer A Hémeryck, A Estève, N Richard, MD Rouhani, G Landa Surface Science 603 (13), 2132-2137, 2009 | 20 | 2009 |
| Water distribution within wild-type NRas protein and Q61 mutants during unrestrained QM/MM dynamics RH Tichauer, G Favre, S Cabantous, G Landa, A Hemeryck, M Brut Biophysical journal 115 (8), 1417-1430, 2018 | 18 | 2018 |
| Active oxidation: Silicon etching and oxide decomposition basic mechanisms using density functional theory A Hemeryck, N Richard, A Estève, MD Rouhani Surface science 601 (9), 2082-2088, 2007 | 18 | 2007 |
Georges LandaDirecteur de Recherches CNRSPreverjeni e-poštni naslov na laas.fr