Adem Tekin
Adem Tekin
itu.edu.tr üzerinde doğrulanmış e-posta adresine sahip - Ana Sayfa
BaşlıkAlıntı yapanlarYıl
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
1122007
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), 014101, 2009
722009
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
712011
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
482004
First-principles determination of the ground-state structure of LiBH 4
A Tekin, R Caputo, A Züttel
Physical review letters 104 (21), 215501, 2010
472010
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
412010
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
402009
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), 12B603, 2011
372011
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
272008
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
212014
Ab-initio crystal structure prediction. A case study: NaBH4
R Caputo, A Tekin
Journal of solid state chemistry 184 (7), 1622-1630, 2011
202011
Intermolecular interactions in nitrogen-containing aromatic systems
B Sütay, A Tekin, M Yurtsever
Theoretical Chemistry Accounts 131 (2), 1120, 2012
172012
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
152013
Lithium Dihydroborate: First-Principles Structure Prediction of LiBH2
R Caputo, A Tekin
Inorganic chemistry 51 (18), 9757-9765, 2012
142012
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
132011
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
122017
Global geometry optimization of silicon clusters employing empirical potentials, density functionals, and ab initio calculations
A Tekin, B Hartke
Journal of Theoretical and Computational Chemistry 4 (04), 1119-1151, 2005
122005
First principles potential for the cytosine dimer
A Manukyan, A Tekin
Physical Chemistry Chemical Physics 17 (22), 14685-14701, 2015
112015
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
112014
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
102013
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