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Gilles Frapper
Gilles Frapper
Professor of applied quantum chemistry
Verified email at univ-poitiers.fr
Title
Cited by
Cited by
Year
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
2292010
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
1582011
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
1442015
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
1381997
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
1381993
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
1022011
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
982013
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
972009
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
822017
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
742018
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
692015
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
512017
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
482015
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
462016
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
402000
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
372000
Geometrical and electronic structures of. pi.-conjugated silicon ring polymers
G Frapper, M Kertesz
Organometallics 11 (10), 3178-3184, 1992
371992
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
341997
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
312014
Stability of tetraoxocyclobutane revised: perturbation theory and density functional scheme
H Jiao, G Frapper, JF Halet, JY Saillard
The Journal of Physical Chemistry A 105 (24), 5945-5947, 2001
302001
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