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Adem Tekin
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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
1242007
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
922011
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
842009
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
632010
First-principles determination of the ground-state structure of LiBH 4
A Tekin, R Caputo, A Züttel
Physical review letters 104 (21), 215501, 2010
582010
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
532017
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
512004
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
482009
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
462011
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
342008
Ab-initio crystal structure prediction. A case study: NaBH4
R Caputo, A Tekin
Journal of solid state chemistry 184 (7), 1622-1630, 2011
302011
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
292014
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
232013
Intermolecular interactions in nitrogen-containing aromatic systems
B Sütay, A Tekin, M Yurtsever
Theoretical Chemistry Accounts 131, 1-13, 2012
202012
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
192014
Lithium Dihydroborate: First-Principles Structure Prediction of LiBH2
R Caputo, A Tekin
Inorganic chemistry 51 (18), 9757-9765, 2012
192012
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
182013
First principles potential for the cytosine dimer
A Manukyan, A Tekin
Physical Chemistry Chemical Physics 17 (22), 14685-14701, 2015
172015
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
142011
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
132021
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Articles 1–20