화학공학소재연구정보센터
검색결과 : 11건
No. Article
1 Quantitative imaging of electric surface potentials with single-atom sensitivity
Wagner C, Green MFB, Maiworm M, Leinen P, Esat T, Ferri N, Friedrich N, Findeisen R, Tkatchenko A, Temirov R, Tautz FS
Nature Materials, 18(8), 853, 2019
2 Hidden Beneath the Surface: Origin of the Observed Enantioselective Adsorption on PdGa(111)
Yakutovich AV, Hoja J, Passerone D, Tkatchenko A, Pignedoli CA
Journal of the American Chemical Society, 140(4), 1401, 2018
3 First-Principles Models for van der Waals Interactions in Molecules and Materials: Concepts, Theory, and Applications
Hermann J, DiStasio RA, Tkatchenko A
Chemical Reviews, 117(6), 4714, 2017
4 Nature of Hydrogen Bonds and S center dot center dot center dot S Interactions in the L-Cystine Crystal
Flores-Huerta AG, Tkatchenko A, Galvan M
Journal of Physical Chemistry A, 120(21), 4223, 2016
5 Nature of Hydrogen Bonds and S center dot center dot center dot S Interactions in the L-Cystine Crystal
Flores-Huerta AG, Tkatchenko A, Galvan M
Journal of Physical Chemistry A, 120(24), 4223, 2016
6 Noncovalent Bonding Controls Selectivity in Heterogeneous Catalysis: Coupling Reactions on Gold
Karakalos S, Xu YF, Kabeer FC, Chen W, Rodriguez-Reyes JCF, Tkatchenko A, Kaxiras E, Madix RJ, Friend CM
Journal of the American Chemical Society, 138(46), 15243, 2016
7 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
8 Current Understanding of Van der Waals Effects in Realistic Materials
Tkatchenko A
Advanced Functional Materials, 25(13), 2054, 2015
9 van der Waals Interactions Determine Selectivity in Catalysis by Metallic Gold
Rodriguez-Reyes JCF, Siler CGF, Liu W, Tkatchenko A, Friend CM, Madix RJ
Journal of the American Chemical Society, 136(38), 13333, 2014
10 Understanding the Structure and Electronic Properties of Molecular Crystals Under Pressure: Application of Dispersion Corrected DFT to Oligoacenes
Schatschneider B, Monaco S, Tkatchenko A, Liang JJ
Journal of Physical Chemistry A, 117(34), 8323, 2013