Search Results - "Sebetçi, Ali"

BH-DFTB/DFT calculations for iron clusters by Aktürk, Abdurrahman, Sebetci, Ali

“…We present a study on the structural, electronic, and magnetic properties of Fe n (n  =  2  −  20) clusters by performing density functional tight binding…”
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Perde ve mânâ: Akıl üzerine bir tahlil / İbrahim Kalın ; çeviren, Ali Sebetçi ; editör, Saliha Şişman by Kalın, İbrahim, Sebetçi, Ali, Şişman, Saliha

“…Aklın amel defteri bir hayli kabarık. Sevabı mı yoksa günahı mı daha çok, söylemek zor. İnsanların hayatını kolaylaştıran icatları yapan da Elhamra Sarayı’nı…”
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Energetics and structures of small clusters: PtN, N = 2-21 by SEBETCI, Ali, GÜVENC, Ziya B

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Cobalt clusters (Co n , n ⩽ 6) and their anions by Sebetci, Ali

“…The structural, electronic, and magnetic properties of Co n ( n ⩽ 6) clusters and their anions have been investigated using the density functional theory with…”
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Density functional study of small cobalt–platinum nanoalloy clusters by Sebetci, Ali

“…The structural, energetic, electronic and magnetic properties of small bimetallic ConPtm (n+m≤5) nanoalloy clusters are investigated by density functional…”
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New minima for the Pt8 cluster by Sebetci, Ali

“…•DFT calculations for the structural and electronic properties of the Pt8 cluster have been carried out.•The most stable configuration of the Pt8 cluster is a…”
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Interaction of carbon monoxide with bimetallic Co–Pt clusters: A density functional theory study by Sebetci, Ali

“…► DFT calculations for the interaction of CO with bimetallic ConPtm (n+m⩽5) clusters have been carried out. ► The CO prefers to adsorb at the Pt site rather…”
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A density functional study of bare and hydrogenated platinum clusters by Sebetci, Ali

“…We perform density functional theory calculations using Gaussian atomic-orbital methods within the generalized gradient approximation for the exchange and…”
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Gd@C 82 : Origin of the Antiferromagnetic Coupling between Endohedral Gd and the Free Spin on the Carbon Cage by Sebetci, Ali, Richter, Manuel

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Gd@C82: Origin of the Antiferromagnetic Coupling between Endohedral Gd and the Free Spin on the Carbon Cage by Sebetci, Ali, Richter, Manuel

“…The structure and magnetic ground state of the endohedral metallofullerene Gd@C82 is confirmed by relativistic density functional calculations. The…”
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Spatially Homogeneous QM/MM for Systems of Interacting Molecules with on-the-Fly ab Initio Force-Field Parametrization by Sebetci, Ali, Beran, Gregory J. O

“…Quantum and classical mechanics are combined in a hybrid many-body interaction model to enable the computationally affordable study of systems containing many…”
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Free standing double walled boron nanotubes by Sebetci, Ali, Mete, Ersen, Boustani, Ihsan

“…Based on density functional calculations we propose stable structures of free standing double walled boron nanotubes in the form of two single walled boron…”
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The Influence of Unsaturated Hydrocarbon Ligands on the Stabilization of Platinum Tetramer by Aslan, Mikail, Öztürk, Zihni, Sebetci, Ali

“…In the present study, Pt 4 (CH) n (1 ≤ n ≤ 7) and Pt 4 (benzene) 2 metalorganic complexes have been investigated by performing density functional theory within…”
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Energetics and structures of small clusters: Pt N, N=2–21 by Sebetci, Ali, Güvenç, Ziya B.

“…The Voter and Chen version of an embedded-atom model, derived by fitting to experimental data of both diatomic molecule and bulk platinum simultaneously, has…”
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Thermodynamics of small platinum clusters by Sebetci, Ali, Güvenç, Ziya B., Kökten, Hatice

“…Using the Voter and Chen version of an embedded atom model, derived by fitting simultaneously to experimental data of both the diatomic molecule and bulk…”
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Does Spin-Orbit Coupling Effect Favor Planar Structures for Small Platinum Clusters? by Sebetci, Ali

“…We have performed full-relativistic density functional theory calculations to study the geometry and binding energy of different isomers of free platinum…”
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The Structure, Energetics and Melting Behavior of Free Platinum Clusters by Sebetci, Ali

“…The Voter and Chen version of an embedded-atom model, derived by fitting to experimental data of both the diatomic molecule and bulk platinum simultaneously,…”
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A Density Functional Study of Bare and Hydrogenated Platinum Clusters by Sebetci, Ali

“…We perform density functional theory calculations using Gaussian atomic-orbital methods within the generalized gradient approximation for the exchange and…”
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Structural, Magnetic, and Electronic Properties of the Monometallofullerene Gd@C_82 : Theory by Sebetci, Ali, Richter, Manuel

“…The structural, electronic, and magnetic properties of Gd@C_82 endohedral metallofullerene have been studied by employing on-site correlation corrected,…”
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Global minima of Al_N, Au_N and Pt_N, N=2-80, clusters described by Voter-Chen version of embedded-atom potentials by Sebetci, Ali, Guvenc, Ziya B

“…Using the basin-hopping Monte Carlo minimization approach we report the global minima for aluminium, gold and platinum metal clusters modelled by the…”
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