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Ab-initio density functional study of defect-free and defective CdO
R Ferro et al.
physica status solidi (c) 2 (10), 3548-51 (2005)
info:doi/10.1002/pssc.200461816
Posted by matthieuverstraete (who is an author) to CDO abinitio defect DFT on Tue Oct 23 2007 at 09:40 UTC | info | related
 
Ab initio study of MoS2 nanotube bundles
Matthieu Verstraete and Jean-Christophe Charlier
Physical Review B 68 (4), 045423 (30 Jul 2003)
info:doi/10.1103/PhysRevB.68.045423
Posted by matthieuverstraete (who is an author) to ABINIT disulfide molybdenum DFT Nanotube on Wed Oct 10 2007 at 15:44 UTC | info | related
 
Smearing scheme for finite-temperature electronic-structure calculations
Matthieu Verstraete and Xavier Gonze
Physical Review B 65 (3), 035111 (Jan 2002)
info:doi/10.1103/PhysRevB.65.035111
Posted by matthieuverstraete (who is an author) to finite temperature DFT on Wed Oct 10 2007 at 14:48 UTC | info | related
 
Electronic structure of Ag–Pd heterostructures
Matthieu Verstraete et al.
Computational Materials Science 30 (1-2), 34-43 (May 2004)
info:doi/10.1016/j.commatsci.2004.01.007
Posted by matthieuverstraete (who is an author) to Catalysis DFT palladium carbon Nanotube on Wed Oct 10 2007 at 14:23 UTC | info | related
 
Metals at finite temperature: a modified smearing scheme
Matthieu Verstraete and Xavier Gonze
Computational Materials Science 30 (1-2), 27-33 (May 2004)
info:doi/10.1016/j.commatsci.2004.01.006
Posted by matthieuverstraete (who is an author) to finite temperature DFT electronic structure on Wed Oct 10 2007 at 14:20 UTC | info | related
 
Anomalous ESR behavior of carbon nanofilaments grown from palladium seeds
Y Breton et al.
Carbon 42 (5-6), 1049-52 (2004)
info:doi/10.1016/j.carbon.2003.12.011
Posted by matthieuverstraete (who is an author) to Catalytically grown paramagnetic resonance carbon electronic electron Nanotube structure on Wed Oct 10 2007 at 14:03 UTC | info | related
 
First-principles computation of material properties: the ABINIT software project
X Gonze et al.
Computational Materials Science 25 (3), 478-92 (Nov 2002)
info:doi/10.1016/S0927-0256(02)00325-7
Posted by matthieuverstraete (who is an author) to ABINIT ground state phonon DFT electronic structure on Wed Oct 10 2007 at 13:46 UTC | info | related
 
First-principles calculation of the electronic, dielectric, and dynamical properties of CaF2
Matthieu Verstraete and Xavier Gonze
Physical Review B 68 (19), 195123 (26 Nov 2003)
info:doi/10.1103/PhysRevB.68.195123
Posted by matthieuverstraete (who is an author) to difluoride dielectric phonon DFT Calcium on Thu Sep 13 2007 at 14:53 UTC | info | related
 
Structural and electronic properties of Ag-Pd superlattices
Matthieu Verstraete et al.
Physical Review B (Condensed Matter and Materials Physics) 70 (20), 205427 (2004)
info:doi/10.1103/physrevb.70.205427
Posted by matthieuverstraete (who is an author) to heterostructure PES Ag DFT STM growth PD on Thu Sep 13 2007 at 14:53 UTC | info | related
 
Catalyst consumption during growth of carbon nanofilaments on Pd seeds
Yannick Breton et al.
Applied Physics Letters 85 (22), 5376-8 (2004)
info:doi/10.1063/1.1829381
Posted by matthieuverstraete (who is an author) to nanofilament palladium carbon growth CNT Nanotube on Thu Sep 13 2007 at 14:51 UTC | info | related

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