| 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 | 233 | 2010 |
| Phase stability, chemical bonding and mechanical properties of titanium nitrides: a first-principles study S Yu, Q Zeng, AR Oganov, G Frapper, L Zhang Physical Chemistry Chemical Physics 17 (17), 11763-11769, 2015 | 171 | 2015 |
| Hydration properties and interlayer organization of water and ions in synthetic Na-smectite with tetrahedral layer charge. Part 2. Toward a precise coupling between molecular … E Ferrage, BA Sakharov, LJ Michot, A Delville, A Bauer, B Lanson, ... The Journal of Physical Chemistry C 115 (5), 1867-1881, 2011 | 169 | 2011 |
| Metal oligo-yne polymers: electronic structures of [-(L) nMC. tplbond. CRC. tplbond. C-] x polymers G Frapper, M Kertesz Inorganic Chemistry 32 (5), 732-740, 1993 | 141 | 1993 |
| Bi-and trimetallic σ-acetylide complexes connected through a phenyl ring in the Fe (Cp*)(dppe) series T Weyland, C Lapinte, G Frapper, MJ Calhorda, JF Halet, L Toupet Organometallics 16 (10), 2024-2031, 1997 | 140 | 1997 |
| Pressure-induced stabilization and insulator-superconductor transition of BH CH Hu, AR Oganov, Q Zhu, GR Qian, G Frapper, AO Lyakhov, HY Zhou Physical review letters 110 (16), 165504, 2013 | 112 | 2013 |
| Modulation of lipid‐induced ER stress by fatty acid shape J Deguil, L Pineau, EC Rowland Snyder, S Dupont, L Beney, A Gil, ... Traffic 12 (3), 349-362, 2011 | 107 | 2011 |
| Catalyst-free aqueous multicomponent domino reactions from formaldehyde and 1, 3-dicarbonyl derivatives Y Gu, R De Sousa, G Frapper, C Bachmann, J Barrault, F Jerome Green Chemistry 11 (12), 1968-1972, 2009 | 105 | 2009 |
| Emergence of Novel Polynitrogen Molecule-like Species, Covalent Chains, and Layers in Magnesium–Nitrogen MgxNy Phases under High Pressure S Yu, B Huang, Q Zeng, AR Oganov, L Zhang, G Frapper The Journal of Physical Chemistry C 121 (21), 11037-11046, 2017 | 96 | 2017 |
| Barium–nitrogen phases under pressure: Emergence of structural diversity and nitrogen-rich compounds B Huang, G Frapper Chemistry of Materials 30 (21), 7623-7636, 2018 | 86 | 2018 |
| 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 | 77 | 2015 |
| First-principles study of Zr–N crystalline phases: phase stability, electronic and mechanical properties S Yu, Q Zeng, AR Oganov, G Frapper, B Huang, H Niu, L Zhang RSC advances 7 (8), 4697-4703, 2017 | 64 | 2017 |
| Pressure-driven formation and stabilization of superconductive chromium hydrides S Yu, X Jia, G Frapper, D Li, AR Oganov, Q Zeng, L Zhang Scientific reports 5 (1), 17764, 2015 | 51 | 2015 |
| Exploring the real ground-state structures of molybdenum dinitride S Yu, B Huang, X Jia, Q Zeng, AR Oganov, L Zhang, G Frapper The Journal of Physical Chemistry C 120 (20), 11060-11067, 2016 | 46 | 2016 |
| Search for New Allotropic Forms of Carbon Dioxide and Carbon Disulfide: A Density Functional Study of CX2-Based Oligomers (X = O, S) G Frapper, JY Saillard Journal of the American Chemical Society 122 (22), 5367-5370, 2000 | 40 | 2000 |
| Small boron carbon chains stabilized in rare earth metallic frameworks: A bonding analysis J Bauer, G Boucekkine, G Frapper, JF Halet, JY Saillard, B Zouchoune Journal of Solid State Chemistry 133 (1), 190-194, 1997 | 37 | 1997 |
| Geometrical and electronic structures of. pi.-conjugated silicon ring polymers G Frapper, M Kertesz Organometallics 11 (10), 3178-3184, 1992 | 37 | 1992 |
| CO Adsorption on Molybdenum Nitride's γ-Mo2N(100) Surface: Formation of NCO Species? A Density Functional Study G Frapper, M Pélissier, J Hafner The Journal of Physical Chemistry B 104 (50), 11972-11976, 2000 | 36 | 2000 |
| Mechanisms of the Knoevenagel hetero Diels–Alder sequence in multicomponent reactions to dihydropyrans: experimental and theoretical investigations into the role of water G Frapper, C Bachmann, Y Gu, RC De Sousa, F Jérôme Physical Chemistry Chemical Physics 13 (2), 628-636, 2011 | 33 | 2011 |
| Exploration of stable compounds, crystal structures, and superconductivity in the Be-H system S Yu, Q Zeng, AR Oganov, C Hu, G Frapper, L Zhang AIP Advances 4 (10), 2014 | 32 | 2014 |
Qingfeng ZengSchool of Materials Science and Engineering, Northwestern Polytechnical UniversityZweryfikowany adres z nwpu.edu.cn