검색결과 : 9건
| No. | Article |
|---|---|
| 1 |
Highly Distorted Chiral Two-Dimensional Tin Iodide Perovskites for Spin Polarized Charge Transport Lu HP, Xiao CX, Song RY, Li TY, Maughan AE, Levin A, Brunecky R, Berry JJ, Mitzi DB, Blum V, Beard MC Journal of the American Chemical Society, 142(30), 13030, 2020 |
| 2 |
Direct-Bandgap 2D Silver-Bismuth Iodide Double Perovskite: The Structure-Directing Influence of an Oligothiophene Spacer Cation Jana MK, Janke SM, Dirkes DJ, Dovletgeldi S, Liu C, Qin XX, Gundogdu K, You W, Blum V, Mitzi DB Journal of the American Chemical Society, 141(19), 7955, 2019 |
| 3 |
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 |
| 4 |
Low-Molecular-Weight Carbon Nitrides for Solar Hydrogen Evolution Lau VWH, Mesch MB, Duppel V, Blum V, Senker J, Lotsch BV Journal of the American Chemical Society, 137(3), 1064, 2015 |
| 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 |
Isomer-Selective Detection of Hydrogen-Bond Vibrations in the Protonated Water Hexamer Heine N, Fagiani MR, Rossi M, Wende T, Berden G, Blum V, Asmis KR Journal of the American Chemical Society, 135(22), 8266, 2013 |
| 8 |
Water Adsorption at Two Unsolvated Peptides with a Protonated Lysine Residue: From Self-Solvation to Solvation Chutia S, Rossi M, Blum V Journal of Physical Chemistry B, 116(51), 14788, 2012 |
| 9 |
Evolutionary approach for determining first-principles hamiltonians Hart GLW, Blum V, Walorski MJ, Zunger A Nature Materials, 4(5), 391, 2005 |