| Trends in the adsorption of 3d transition metal atoms onto graphene and nanotube surfaces: a DFT study and molecular orbital analysis H Valencia, A Gil, G Frapper The Journal of Physical Chemistry C 114 (33), 14141-14153, 2010 | 230 | 2010 |
| Trends in the hydrogen activation and storage by adsorbed 3d transition metal atoms onto graphene and nanotube surfaces: A DFT study and molecular orbital analysis H Valencia, A Gil, G Frapper The Journal of Physical Chemistry C 119 (10), 5506-5522, 2015 | 72 | 2015 |
| Ab initio study of EMIM-BF4 crystal interaction with a Li (100) surface as a model for ionic liquid/Li interfaces in Li-ion batteries H Valencia, M Kohyama, S Tanaka, H Matsumoto The Journal of chemical physics 131 (24), 2009 | 50 | 2009 |
| Ab initio study of molecule adsorption on Li surfaces as a model for ionic liquid/Li interfaces in Li-ion batteries H Valencia, M Kohyama, S Tanaka, H Matsumoto Physical Review B—Condensed Matter and Materials Physics 78 (20), 205402, 2008 | 47 | 2008 |
| Thermodynamic analysis of (0001) and GaN metalorganic vapor phase epitaxy A Kusaba, Y Kangawa, P Kempisty, H Valencia, K Shiraishi, Y Kumagai, ... Japanese journal of applied physics 56 (7), 070304, 2017 | 46 | 2017 |
| First-principles study of EMIM-FAFSA molecule adsorption on a Li (100) surface as a model for Li-ion battery electrodes H Valencia, M Kohyama, S Tanaka, H Matsumoto The Journal of Physical Chemistry C 116 (15), 8493-8509, 2012 | 35 | 2012 |
| Effect of palladium on the reducibility of Mn based materials: correlation with methane oxidation activity A Baylet, S Royer, C Labrugère, H Valencia, P Marecot, JM Tatibouët, ... Physical Chemistry Chemical Physics 10 (39), 5983-5992, 2008 | 31 | 2008 |
| Prediction of Novel Tin Nitride SnxNy Phases Under Pressure B Wang, R Larhlimi, H Valencia, F Guégan, G Frapper The Journal of Physical Chemistry C 124 (15), 8080-8093, 2020 | 22 | 2020 |
| Computational discovery of two-dimensional copper chalcogenides ( = S, Se, Te) S Faraji, B Wang, HO Valencia, G Frapper Physical Review Materials 5 (12), 124007, 2021 | 6 | 2021 |
| New developments in the GDIS simulation package: Integration of VASP and USPEX H Okadome Valencia, B Wang, G Frapper, AL Rohl Journal of Computational Chemistry 42 (22), 1602-1626, 2021 | 4 | 2021 |
| Ab initio study of GaAs (100) surface stability over As2, H2 and N2 as a model for vapor-phase epitaxy of GaAs1− xNx H Valencia, Y Kangawa, K Kakimoto Journal of Crystal Growth 432, 6-14, 2015 | 4 | 2015 |
| Demonstrating quantum computation for quasiparticle band structures T Ohgoe, H Iwakiri, M Kohda, K Ichikawa, YO Nakagawa, HO Valencia, ... Physical Review Research 6 (2), L022022, 2024 | 2 | 2024 |
| 1. イオン液体/Li 金属界面の第一原理計算: リチウムイオン電池の電解質設計に向けて 香山正憲， 田中真悟， 松本一 Electrochemistry 80 (11), 920-924, 2012 | 2 | 2012 |
| Applications de la chimie quantique. Surfaces de molybdène nues et carburées, fonctionnalisation d'une surface carbonée (graphite ou nanotube) par un métal de transition et … H Valencia Université de Poitiers, 2006 | 2 | 2006 |
| High-pressure polycrystalline thin-film synthesis and semiconducting property of platinum pernitride K Niwa, T Iizuka, M Kurosawa, Y Nakamura, H Okadome Valencia, ... AIP Advances 12 (5), 2022 | 1 | 2022 |
| Demonstrating Quantum Computation for Quasiparticle Band Structures H Iwakiri, T Ohgoe, M Kohda, K Ichikawa, Y Nakagawa, H Valencia, ... Bulletin of the American Physical Society, 2024 | | 2024 |
| Supplementary information: New developments in the GDIS simulation package: integration of VASP and USPEX. HO Valencia, B Wang, G Frapper, AL Rohl | | 2021 |
| Chemical beam epitaxy of GaAs1-xNx using MMHy and DMHy precursors, modeled by ab initio study of GaAs (100) surfaces stability over As2, H2 and N2 H Valencia, Y Kangawa, K Kakimoto Journal of Crystal Growth 468, 557-561, 2017 | | 2017 |
| Ab initio model for GaAs1− xNx chemical beam epitaxy using GaAs (100) surface stability over As2, H2, and N2 H Valencia, Y Kangawa, K Kakimoto Japanese journal of applied physics 56 (6), 060306, 2017 | | 2017 |
| イオン液体/Li 金属界面の第一原理計算 香山正憲， 田中真悟， 松本一 表面科学 34 (12), 650-655, 2013 | | 2013 |
Gilles FrapperProfessor of applied quantum chemistry在 univ-poitiers.fr 的电子邮件经过验证
