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
1562010
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
1351997
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
1281993
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
1142011
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
802009
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
792011
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
622015
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
532013
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
362015
CO Adsorption on Molybdenum Nitride's γ-Mo2N(100) Surface:  Formation of NCO Species? A Density Functional Study
G Frapper, M Pelissier, J Hafner
The Journal of Physical Chemistry B 104 (50), 11972-11976, 2000
342000
Geometrical and electronic structures of. pi.-conjugated silicon ring polymers
G Frapper, M Kertesz
Organometallics 11 (10), 3178-3184, 1992
331992
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
321997
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
302000
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
292016
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
292001
Theoretical aspects of the bonding in organometallic clusters containing exposed dicarbon (C2) entities. 2. High-nuclearity systems
G Frapper, JF Halet, MI Bruce
Organometallics 16 (12), 2590-2600, 1997
271997
Theoretical aspects of the bonding in organometallic clusters containing exposed dicarbon (C2) entities. 1. Tetrametallic systems
G Frapper, JF Halet
Organometallics 14 (11), 5044-5053, 1995
271995
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
262017
Design of small gap conjugated polymers
J Kürti, PR Surján, M Kertész, G Frapper
Synthetic metals 57 (2-3), 4338-4343, 1993
261993
Boron–Carbon Chains Stabilized in Rare Earth Metallic Frameworks
D Ansel, J Bauer, F Bonhomme, G Boucekkine, G Frapper, P Gougeon, ...
Angewandte Chemie International Edition in English 35 (18), 2098-2101, 1996
251996
The system can't perform the operation now. Try again later.
Articles 1–20