How accurate is the density functional theory combined with symmetry-adapted perturbation theory approach for CH–π and π–π interactions? A comparison to supermolecular … A Tekin, G Jansen Physical Chemistry Chemical Physics 9 (14), 1680-1687, 2007 | 124 | 2007 |
A multifaceted approach to hydrogen storage AJ Churchard, E Banach, A Borgschulte, R Caputo, JC Chen, D Clary, ... Physical Chemistry Chemical Physics 13 (38), 16955-16972, 2011 | 92 | 2011 |
Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project JS Hummelshøj, DD Landis, J Voss, T Jiang, A Tekin, N Bork, M Dułak, ... The Journal of chemical physics 131 (1), 2009 | 84 | 2009 |
Ammonia dynamics in magnesium ammine from DFT and neutron scattering A Tekin, JS Hummelshøj, HS Jacobsen, D Sveinbjörnsson, D Blanchard, ... Energy & Environmental Science 3 (4), 448-456, 2010 | 63 | 2010 |
First-principles determination of the ground-state structure of LiBH 4 A Tekin, R Caputo, A Züttel Physical review letters 104 (21), 215501, 2010 | 58 | 2010 |
Interaction of curcumin in a drug delivery system including a composite with poly (lactic-co-glycolic acid) and montmorillonite: A density functional theory and molecular … D Karataş, A Tekin, F Bahadori, MS Çelik Journal of materials chemistry B 5 (40), 8070-8082, 2017 | 54 | 2017 |
Global geometry optimization of small silicon clusters with empirical potentials and at the DFT level A Tekin, B Hartke Physical Chemistry Chemical Physics 6 (3), 503-509, 2004 | 51 | 2004 |
First-principles determination of the ground-state structure of Mg (BH4) 2 R Caputo, A Tekin, W Sikora, A Züttel Chemical Physics Letters 480 (4-6), 203-209, 2009 | 48 | 2009 |
First principles potential for the acetylene dimer and refinement by fitting to experiments C Leforestier, A Tekin, G Jansen, M Herman The Journal of chemical physics 135 (23), 2011 | 46 | 2011 |
Ab initio and matrix isolation study of the acetylene–furan dimer E Sánchez-García, A Mardyukov, A Tekin, R Crespo-Otero, LA Montero, ... Chemical Physics 343 (2-3), 168-185, 2008 | 34 | 2008 |
Ab-initio crystal structure prediction. A case study: NaBH4 R Caputo, A Tekin Journal of solid state chemistry 184 (7), 1622-1630, 2011 | 31 | 2011 |
Synthesis and aggregation behavior of zinc phthalocyanines substituted with bulky naphthoxy and phenylazonaphthoxy groups: An experimental and theoretical study İ Özçeşmeci, A Tekin, A Gül Synthetic metals 189, 100-110, 2014 | 29 | 2014 |
Ab initio crystal structure prediction by combining symmetry analysis representations and total energy calculations. An insight into the structure of Mg (BH 4) 2 R Caputo, A Kupczak, W Sikora, A Tekin Physical Chemistry Chemical Physics 15 (5), 1471-1480, 2013 | 23 | 2013 |
Intermolecular interactions in nitrogen-containing aromatic systems B Sütay, A Tekin, M Yurtsever Theoretical Chemistry Accounts 131, 1-13, 2012 | 20 | 2012 |
Fundamental open questions on engineering of" super" hydrogen sorption in graphite nanofibers: relevance for clean energy applications YS Nechaev, A Yürüm, A Tekin, N Karatepe Yavuz, Y Yürüm, ... American Journal of Analytical Chemistry 5 (16), 1151-1165, 2014 | 19 | 2014 |
Lithium Dihydroborate: First-Principles Structure Prediction of LiBH2 R Caputo, A Tekin Inorganic chemistry 51 (18), 9757-9765, 2012 | 19 | 2012 |
Adsorption of quaternary amine surfactants and their penetration into the intracrystalline cavities of sepiolite D Karataş, A Tekin, MS Çelik New Journal of Chemistry 37 (12), 3936-3948, 2013 | 18 | 2013 |
First principles potential for the cytosine dimer A Manukyan, A Tekin Physical Chemistry Chemical Physics 17 (22), 14685-14701, 2015 | 17 | 2015 |
First-principles calculations of structural, electronic, optical, and thermoelectric properties of LuNiBi and LuNiSb half-heusler A Touia, K Benyahia, A Tekin Journal of Superconductivity and Novel Magnetism 34 (10), 2689-2698, 2021 | 14 | 2021 |
Constructing simple yet accurate potentials for describing the solvation of HCl/water clusters in bulk helium and nanodroplets AD Boese, H Forbert, M Masia, A Tekin, D Marx, G Jansen Physical Chemistry Chemical Physics 13 (32), 14550-14564, 2011 | 14 | 2011 |