화학공학소재연구정보센터
검색결과 : 5건
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 The interface of a-SiNx:H and Si: Linking the nano-scale structure to passivation quality
Lamers M, Hintzsche LE, Butler KT, Vullum PE, Fang CM, Marsman M, Jordan G, Harding JH, Kresse G, Weeber A
Solar Energy Materials and Solar Cells, 120, 311, 2014
3 Periodic Projector Augmented Wave Density Functional Calculations on the Hexachlorobenzene Crystal and Comparison with the Experimental Multipolar Charge Density Model
Aubert E, Lebegue S, Marsman M, Thai TTB, Jelsch C, Dahaoui S, Espinosa E, Angyan JG
Journal of Physical Chemistry A, 115(50), 14484, 2011
4 Accurate surface and adsorption energies from many-body perturbation theory
Schimka L, Harl J, Stroppa A, Gruneis A, Marsman M, Mittendorfer F, Kresse G
Nature Materials, 9(9), 741, 2010
5 A splice variant of RILP induces lysosomal clustering independent of dynein recruitment
Marsman M, Jordens I, Rocha N, Kuijl C, Janssen L, Neefjes J
Biochemical and Biophysical Research Communications, 344(3), 747, 2006