검색결과 : 9건
| No. | Article |
|---|---|
| 1 |
Reproducibility in density functional theory calculations of solids Lejaeghere K, Bihlmayer G, Bjorkman T, Blaha P, Blugel S, Blum V, Caliste D, Castelli IE, Clark SJ, Dal Corso A, de Gironcoli S, Deutsch T, Dewhurst JK, Di Marco I, Draxl C, Dulak M, Eriksson O, Flores-Livas JA, Garrity KF, Genovese L, Giannozzi P, Giantomassi M, Goedecker S, Gonze X, Granas O, Gross EKU, Gulans A, Gygi F, Hamann DR, Hasnip PJ, Holzwarth NAW, Iusan D, Jochym DB, Jollet F, Jones D, Kresse G, Koepernik K, Kucukbenli E, Kvashnin YO, Locht ILM, Lubeck S, Marsman M, Marzari N, Nitzsche U, Nordstrom L, Ozaki T, Paulatto L, Pickard CJ, Poelmans W, Probert MIJ, Refson K, Richter M, Rignanese GM, Saha S, Scheffler M, Schlipf M, Schwarz K, Sharma S, Tavazza F, Thunstrom P, Tkatchenko A, Torrent M, Vanderbilt D, van Setten MJ, Van Speybroeck V, Wills JM, Yates JR, Zhang GX, Cottenier S Science, 351(6280), 1415, 2016 |
| 2 |
Modeling the dissociation and ionization of a sputtered organic molecule Solomko V, Verstraete M, Delcorte A, Garrison BJ, Gonze X, Bertrand P Applied Surface Science, 252(19), 6459, 2006 |
| 3 |
Mechanism of metal cationization in organic SIMS Wojciechowski I, Delcorte A, Gonze X, Bertrand P Applied Surface Science, 203, 102, 2003 |
| 4 |
The formation of singly and doubly cationized oligomers in SIMS Delcorte A, Wojciechowski I, Gonze X, Garrison BJ, Bertrand P Applied Surface Science, 203, 106, 2003 |
| 5 |
Asymptotic behavior of the exchange-correlation potentials from the linear-response Sham-Schluter equation Niquet YM, Fuchs M, Gonze X Journal of Chemical Physics, 118(21), 9504, 2003 |
| 6 |
Mechanism of metal cationization in organic SIMS Wojciechowski I, Delcorte A, Gonze X, Bertrand P Chemical Physics Letters, 346(1-2), 1, 2001 |
| 7 |
Theoretical modeling of the nucleation and growth of aluminium films thermally evaporated onto poly(ethylene terephthalate) substrate Travaly Y, Bertrand P, Rignanese GM, Gonze X Journal of Adhesion, 66(1), 339, 1998 |
| 8 |
Excitation energies from density functional perturbation theory Filippi C, Umrigar CJ, Gonze X Journal of Chemical Physics, 107(23), 9994, 1997 |
| 9 |
Ab-Initio Structure of Graphite Monofluoride (Cf)(N) Charlier JC, Gonze X, Michenaud JP Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, 244, 135, 1994 |