검색결과 : 35건
| No. | Article |
|---|---|
| 1 |
Open data settled in materials theory Draxl C, Illas F, Scheffler M Nature, 548(7669), 523, 2017 |
| 2 |
Micro-Macroporous Composite Materials: SiC Ceramic Foams Functionalized With the Metal Organic Framework HKUST-1 Betke U, Proemmel S, Eggebrecht JG, Rannabauer S, Lieb A, Scheffler M, Scheffler F Chemie Ingenieur Technik, 88(3), 264, 2016 |
| 3 |
Walter Kohn (1923-2016) OBITUARY Scheffler M, Hoffman D Nature Materials, 15(7), 704, 2016 |
| 4 |
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 |
| 5 |
Validation Challenge of Density-Functional Theory for Peptides-Example of Ac-Phe-Ala(5)-LysH Rossi M, Chutia S, Scheffler M, Blum V Journal of Physical Chemistry A, 118(35), 7349, 2014 |
| 6 |
Impact of Vibrational Entropy on the Stability of Unsolvated Peptide Helices with Increasing Length Rossi M, Scheffler M, Blum V Journal of Physical Chemistry B, 117(18), 5574, 2013 |
| 7 |
Micro- and nanospheres from preceramic polymers: process parameters and size control Reschke V, Scheffler M Journal of Materials Science, 47(15), 5655, 2012 |
| 8 |
Random-phase approximation and its applications in computational chemistry and materials science Ren XG, Rinke P, Joas C, Scheffler M Journal of Materials Science, 47(21), 7447, 2012 |
| 9 |
A Critical Assessment of Li/MgO-Based Catalysts for the Oxidative Coupling of Methane Arndt S, Laugel G, Levchenko S, Horn R, Baerns M, Scheffler M, Schlogl R, Schomacker R Catalysis Reviews-Science and Engineering, 53(4), 424, 2011 |
| 10 |
Novel Open-Cellular Glass Foams for Optical Applications Ohl C, Kappa M, Wilker V, Bhattacharjee S, Scheffler F, Scheffler M Journal of the American Ceramic Society, 94(2), 436, 2011 |