Prof. Dr. ŞAKİR ERKO&#199;

INTERNATIONAL JOURNAL OF MODERN PHYSICS B , cilt.32, sa.3, 2018 (SCI-Expanded)

Segregation formation, thermal and electronic properties of ternary cubic CdZnTe clusters: MD simulations and DFT calculations

KURBAN M., ERKOÇ Ş.

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES , cilt.88, ss.243-251, 2017 (SCI-Expanded)

Mechanical properties of CdZnTe nanowires under uniaxial stretching and compression: A molecular dynamics simulation study

Kurban M., ERKOÇ Ş.

COMPUTATIONAL MATERIALS SCIENCE , cilt.122, ss.295-300, 2016 (SCI-Expanded)

Structural Properties of Pristine and Defected ZnO Nanosheets Under Biaxial Strain: Molecular Dynamics Simulations

Kurban M., Malcioglu O. B., ERKOÇ Ş.

JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY , cilt.16, sa.2, ss.1506-1516, 2016 (SCI-Expanded)

Structural and thermal properties of Cd-Zn-Te ternary nanoparticles: Molecular-dynamics simulations

CHEMICAL PHYSICS , cilt.464, ss.40-45, 2016 (SCI-Expanded)

The influence of instructional interactions on students' mental models about the quantization of physical observables: a modern physics course case

Korhasan N. D., ERYILMAZ A., ERKOC Ş.

EUROPEAN JOURNAL OF PHYSICS , cilt.37, sa.1, 2016 (SCI-Expanded)

Structural properties of indium phosphide nanorods: molecular dynamics simulations

Nayir N., TAŞCI E., ERKOÇ Ş.

INTERNATIONAL JOURNAL OF NANOTECHNOLOGY , cilt.13, ss.809-831, 2016 (SCI-Expanded)

Structural and Electronic Properties of ZnmCdn,Te-k (m plus n plus k=2-4) Clusters: DFT Calculations

Kurban M., ERKOÇ Ş.

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE , cilt.12, sa.9, ss.2605-2615, 2015 (SCI-Expanded)

Structural Properties of Monolayer Boron Carbide Nanoribbons Under Strain: Molecular Dynamics Simulations

Simsek Y., ERKOÇ Ş.

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE , cilt.12, sa.9, ss.2180-2188, 2015 (SCI-Expanded)

Structural and Thermal Properties of Indium Phosphide Nanoparticles: Molecular Dynamics Simulations

Nayir N., Tasci E. S., ERKOÇ Ş.

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE , cilt.12, sa.9, ss.2134-2139, 2015 (SCI-Expanded)

Carbon Nanobuggy is Ready for a Test Drive!

Tasci E. S., ERKOÇ Ş.

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE , cilt.12, sa.6, ss.1083-1085, 2015 (SCI-Expanded)

X-Doped (X = C, N, F, P) ZnO Sheet: Density Functional Theory Calculations

KÖKTEN H., ERKOÇ Ş.

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE , cilt.12, sa.3, ss.395-398, 2015 (SCI-Expanded)

Study of the Influence of Transition Metal Atoms on Electronic and Magnetic Properties of Graphyne Nanotubes Using Density Functional Theory

Alaei S., Jalili S., ERKOÇ Ş.

FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES , cilt.23, sa.6, ss.494-499, 2015 (SCI-Expanded)

Investigating students' mental models about the quantization of light, energy, and angular momentum

Didis N., ERYILMAZ A., ERKOC Ş.

PHYSICAL REVIEW SPECIAL TOPICS-PHYSICS EDUCATION RESEARCH , cilt.10, sa.2, 2014 (SCI-Expanded)

Structural properties of defected ZnO nanoribbons under uniaxial strain: Molecular dynamics simulations

CURRENT APPLIED PHYSICS , cilt.14, sa.1, ss.57-67, 2014 (SCI-Expanded)

Structural Properties of beta-Fe2O3 Nanorods Under Strain: Molecular Dynamics Simulations

Alaei S., ERKOÇ Ş.

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE , cilt.11, sa.1, ss.242-248, 2014 (SCI-Expanded)

Evolution of the electronic structure and properties of charged titanium doped aluminum nanoclusters

ERDOĞDU Y., ERKOÇ Ş.

COMPUTATIONAL MATERIALS SCIENCE , cilt.79, ss.599-610, 2013 (SCI-Expanded)

Structural Properties of ZnO Nanotubes Under Uniaxial Strain: Molecular Dynamics Simulations

JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY , cilt.13, sa.10, ss.6597-6610, 2013 (SCI-Expanded)

Structural Properties of ZnO Nanoparticels and Nanorings: Molecular Dynamics Simulations

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE , cilt.10, sa.6, ss.1490-1496, 2013 (SCI-Expanded)

Molecular Dynamic Simulations of Pristine and Defective Graphene Nanoribbons Under Strain

Tuzun B., ERKOÇ Ş.

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE , cilt.10, sa.2, ss.470-480, 2013 (SCI-Expanded)

Structural Properties of Silicon Nanorods Under Strain: Molecular Dynamics Simulations

Ozdamar B., ERKOÇ Ş.

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE , cilt.10, sa.1, ss.1-9, 2013 (SCI-Expanded)

Molecular Dynamics Simulations of Zinc Oxide Nanostructures Under Strain: I-Nanoribbons

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE , cilt.10, sa.1, ss.104-111, 2013 (SCI-Expanded)

Molecular Dynamics Simulations of ZnO Nanostructures Under Strain: II-Nanorods

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE , cilt.10, sa.1, ss.112-118, 2013 (SCI-Expanded)

GROUP 12 ELEMENTS AND THEIR SMALL CLUSTERS: ELECTRIC DIPOLE POLARIZABILITY OF Zn, Cd AND H-g, Zn-2 DIMER AND HIGHER Zn-n MICROCLUSTERS AND NEUTRAL, CATIONIC AND ANIONIC ZINC OXIDE MOLECULES (ZnO, ZnO+ AND ZnO-)

Oymak H., ERKOÇ Ş.

INTERNATIONAL JOURNAL OF MODERN PHYSICS B , cilt.26, sa.8, 2012 (SCI-Expanded)

Molecular-dynamics simulations of silicene nanoribbons under strain

Ince A., ERKOÇ Ş.

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS , cilt.249, sa.1, ss.74-81, 2012 (SCI-Expanded)

Energetics and structural properties of carbon and oxygen doped hexagonal boron nitride sheets

KÖKTEN H., ERKOÇ Ş.

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES , cilt.44, sa.1, ss.215-217, 2011 (SCI-Expanded)

Structural properties of boron carbide nanoparticles: Application of a new set of Stillinger-Weber parameters

COMPUTATIONAL MATERIALS SCIENCE , cilt.50, sa.10, ss.2950-2954, 2011 (SCI-Expanded)

Investigation of Metal and Non-Metal Doped Dimer and Trimer C-60 Fullerene Chains as Prospective Spin Cluster Qubits

Polad S., ERKOÇ Ş.

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE , cilt.8, sa.4, ss.694-706, 2011 (SCI-Expanded)

Silicene nanoribbons: Molecular-dynamics simulations

Ince A., ERKOÇ Ş.

COMPUTATIONAL MATERIALS SCIENCE , cilt.50, sa.3, ss.865-870, 2011 (SCI-Expanded)

Effects of Water Related Defects on Pentacene and Picene Molecules

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE , cilt.7, sa.10, ss.1889-1893, 2010 (SCI-Expanded)

Quantum chemical treatment of beta-sitosterol molecule

Kurban S., ERKOÇ F., ERKOÇ Ş.

PHARMACEUTICAL BIOLOGY , cilt.48, sa.6, ss.637-642, 2010 (SCI-Expanded)

Density Functional Theory Calculations on Polyacene Molecules

ERKOÇ Ş., ERKOÇ F., SEPİCİ DİNÇEL A.

ADVANCED SCIENCE LETTERS , cilt.3, sa.1, ss.43-48, 2010 (SCI-Expanded)

On the SmCo Dimer: A Detailed Density Functional Theory Analysis

Oymak H., ERKOÇ Ş.

JOURNAL OF PHYSICAL CHEMISTRY A , cilt.114, sa.4, ss.1897-1905, 2010 (SCI-Expanded)

Quantum chemical investigation of nitrotyrosine (3-nitro-L-tyrosine) and 8-nitroguanine

AMINO ACIDS , cilt.38, sa.1, ss.319-327, 2010 (SCI-Expanded)

Structural and electronic features of the ubiquinone and ubiquinol molecules: molecular dynamics and quantum chemical treatments

Tekin E. D., ERKOÇ Ş.

MOLECULAR SIMULATION , cilt.36, sa.10, ss.763-771, 2010 (SCI-Expanded)

Structural and electronic properties of carbon-doped c-BN(110) surface

KÖKTEN H., ERKOÇ Ş.

PHYSICA B-CONDENSED MATTER , cilt.404, ss.4937-4938, 2009 (SCI-Expanded)

A theoretical study of chemical doping and width effect on zigzag graphene nanoribbons

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES , cilt.42, sa.2, ss.110-115, 2009 (SCI-Expanded)

Quantum-chemical treatment of the linoleic acid molecule and two of its conjugated isomers

Kurban S., ERKOÇ F., ERKOÇ Ş.

EUROPEAN JOURNAL OF LIPID SCIENCE AND TECHNOLOGY , cilt.111, sa.10, ss.1035-1041, 2009 (SCI-Expanded)

Analyzing Fe-Zn system using molecular dynamics, evolutionary neural nets and multi-objective genetic algorithms

Bhattacharya B., Kumar G. R. D., Agarwal A., ERKOÇ Ş., Singh A., Chakraborti N.

COMPUTATIONAL MATERIALS SCIENCE , cilt.46, sa.4, ss.821-827, 2009 (SCI-Expanded)

Structural and thermochemical properties, and energetics of C-8(NO2)(8) and C-20(NO2)(4n) (n=0-4)

COMPUTATIONAL MATERIALS SCIENCE , cilt.46, sa.4, ss.849-853, 2009 (SCI-Expanded)

A density functional theory study on the structures and energetics of CdmTen clusters (m + n <= 6)

COMPUTATIONAL MATERIALS SCIENCE , cilt.45, sa.4, ss.912-920, 2009 (SCI-Expanded)

Molecular Mechanics and Molecular Dynamics Simulations of Carbon Based Nanogears

Tasci E., ERKOÇ Ş.

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE , cilt.6, sa.4, ss.921-925, 2009 (SCI-Expanded)

Structural and Electronic Properties of GamSen Microclusters: Density Functional Theory Calculations

MALCIOĞLU O. B., ERKOÇ Ş.

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE , cilt.6, sa.4, ss.908-920, 2009 (SCI-Expanded)

Structural, Electronic and Magnetic Properties of BN Nanotubes Doped with Mn and Cr: Exploring the Potential for Device Technology

KÖKTEN H., Ustunel H., ERKOÇ Ş.

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE , cilt.6, sa.4, ss.926-932, 2009 (SCI-Expanded)

On the Possibility of a Polymer-Like Nanorod Based on Columnar Stacked Single Benzenoid Carbon Rings

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE , cilt.6, sa.4, ss.903-907, 2009 (SCI-Expanded)

Enhancement of H-2 Storage in Carbon Nanotubes via Doping with a Boron Nitride Ring

Onay A. K., ERKOÇ Ş.

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE , cilt.6, sa.4, ss.933-941, 2009 (SCI-Expanded)

A Special Issue on Physics and Chemistry of Nanoparticles

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE , cilt.6, sa.4, ss.805, 2009 (SCI-Expanded)

Genetic algorithm-Monte Carlo hybrid geometry optimization method for atomic clusters

COMPUTATIONAL MATERIALS SCIENCE , cilt.45, sa.1, ss.127-132, 2009 (SCI-Expanded)

Endohedral Li/Li+ Doped Stone-Wales Defected Carbon Nanocapsules

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE , cilt.6, sa.1, ss.30-40, 2009 (SCI-Expanded)

Genetic Algorithm Application to the Structural Properties of Si-Ge Mixed Clusters

MATERIALS AND MANUFACTURING PROCESSES , cilt.24, sa.3, ss.250-254, 2009 (SCI-Expanded)

Density functional theory study on the structural properties and energetics of Zn(m)Te(n) microclusters

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES , cilt.40, sa.9, ss.2921-2930, 2008 (SCI-Expanded)

Quantum chemical calculations of warfarin sodium, warfarin and its metabolites

Tekin E. D. (., ERKOÇ F., YILDIZ İ., ERKOÇ Ş.

COMMUNICATIONS IN COMPUTATIONAL PHYSICS , cilt.4, sa.1, ss.161-176, 2008 (SCI-Expanded)

Quantum chemical treatment of Li/Li+ doped defected carbon nanocapsules

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES , cilt.40, sa.8, ss.2752-2760, 2008 (SCI-Expanded)

Stability analysis of graphene nanoribbons by molecular dynamics simulations

MALCIOĞLU O. B., ERKOÇ Ş.

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS , cilt.245, sa.4, ss.695-700, 2008 (SCI-Expanded)

Functionality of C(4,4) carbon nanotube as molecular detector

JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY , cilt.8, sa.2, ss.469-478, 2008 (SCI-Expanded)

Li+ and Li interactions with carbon nanocage structures

Erkoc S., MALCIOĞLU O. B., TAŞCI E.

JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY , cilt.8, sa.2, ss.675-678, 2008 (SCI-Expanded)

Structural properties and stability of nanoclusters

Ustuenel H., Erkoc S.

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE , cilt.4, sa.5, ss.928-956, 2007 (SCI-Expanded)

Structural and electronic properties of defected carbon nanocapsules

Pekoez R., Erkoc S.

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE , cilt.4, sa.4, ss.764-771, 2007 (SCI-Expanded)

An algorithm for constructing various kinds of nanojunctions using zig-zag and armchair nanotubes

Tasci E., Erkoc S.

JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY , cilt.7, ss.1653-1661, 2007 (SCI-Expanded)

Evolutionary and genetic algorithms applied to Li+-C system: Calculations using differential evolution and particle swarm algorithm

Chakraborti N., Jayakanth R., Das S., Calisir E. A., Erkoc S.

JOURNAL OF PHASE EQUILIBRIA AND DIFFUSION , cilt.28, sa.2, ss.140-149, 2007 (SCI-Expanded) Sürdürülebilir Kalkınma

Structural and electronic properties of lithium endohedral doped carbon nanocapsules

Pekoz R., Erkoc S.

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES , cilt.36, sa.2, ss.211-216, 2007 (SCI-Expanded)

Thermal Stability of Carbon Nanosystems: Molecular-Dynamics Simulations

NANOMATERIALS: DESIGN AND SIMULATION , cilt.18, ss.201-226, 2007 (SCI-Expanded)

Genetic algorithms applied to Li+ ions contained in carbon nanotubes: An investigation using particle swarm optimization and differential evolution along with molecular dynamics

Chakraborti N., Das S., Jayakanth R., Pekoz R., Erkoc S.

MATERIALS AND MANUFACTURING PROCESSES , cilt.22, ss.562-569, 2007 (SCI-Expanded) Sürdürülebilir Kalkınma

Structural, electronic and QSAR properties of the cyfluthrin molecule: A theoretical AM1 and PM3 treatment

Calisir E. D., Erkoc S.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C , cilt.17, sa.10, ss.1391-1402, 2006 (SCI-Expanded) Sürdürülebilir Kalkınma

Density functional theory calculations for [C2H4N2O6]((n)) (n=0,+1,-1)

JOURNAL OF HAZARDOUS MATERIALS , cilt.136, sa.2, ss.164-169, 2006 (SCI-Expanded)

Structural and electronic properties of dipropyl sulfide: A theoretical investigation

Calisir E. D., Erkoc S.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C , cilt.17, sa.8, ss.1179-1190, 2006 (SCI-Expanded)

Structural properties of copper nanoparticles: Modified diffusion Monte Carlo simulations

Dugan N., Erkoc S.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C , cilt.17, sa.8, ss.1171-1177, 2006 (SCI-Expanded)

Comment on 'Modelling complexes of H-2 molecules in fullerenes' by H. Dodziuk [Chem. Phys. Lett. 410 (2005) 39]

CHEMICAL PHYSICS LETTERS , cilt.426, ss.222-223, 2006 (SCI-Expanded)

Polarizabilities and second hyperpolarizabilities of ZnmCdn clusters

Papadopoulos M. G., Reis H., Avramopoulos A., Erkoc S., Amirouche L.

MOLECULAR PHYSICS , cilt.104, ss.2027-2036, 2006 (SCI-Expanded)

Structural and electronic properties of the DPPC molecule

Erkoc S., Korkmaz F.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C , cilt.17, sa.7, ss.967-974, 2006 (SCI-Expanded)

Structural and electronic properties of c-BN(110) surface and surface point defects

Kokten H., Erkoc S.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C , cilt.17, sa.6, ss.795-803, 2006 (SCI-Expanded)

Structural and electronic properties of bamboo-like carbon nanostructure

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES , cilt.31, sa.1, ss.62-66, 2006 (SCI-Expanded)

Metal atom endohedrally doped C-20 cage structure: (X@C-20; X = Ni, Fe, Co)

INTERNATIONAL JOURNAL OF MODERN PHYSICS C , cilt.16, sa.10, ss.1553-1560, 2005 (SCI-Expanded)

Structural and electronic properties of single-wall ZnO nanotubes

Erkoc S., Kokten H.

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES , cilt.28, sa.2, ss.162-170, 2005 (SCI-Expanded)

Quantum chemical investigation of thalidomide molecule

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.719, ss.1-5, 2005 (SCI-Expanded)

Correlations between the energetics of ZnCd nanoparticles and some of their corresponding bulk properties: molecular-dynamics simulations

Amirouche L., ERKOÇ Ş.

JOURNAL OF CRYSTAL GROWTH , cilt.275, 2005 (SCI-Expanded)

Theoretical investigation of sulforaphane molecule

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.714, ss.81-85, 2005 (SCI-Expanded)

Theoretical investigations of the equol molecule: semi-empirical and density functional theory calculations

Erkoc F., Yilmazer M., Erkoc S.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.713, ss.37-42, 2005 (SCI-Expanded)

Cluster, surface and bulk properties of ZnCd binary alloys: Molecular-dynamics simulations

NEW FRONTIERS OF PROCESSING AND ENGINEERING IN ADVANCED MATERIALS , cilt.502, ss.51-56, 2005 (SCI-Expanded)

Density functional theory calculations for mercury fulminate

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.712, ss.139-142, 2004 (SCI-Expanded)

Does tubular structure of carbon form only from graphine sheet?

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES , cilt.25, sa.1, ss.69-77, 2004 (SCI-Expanded)

Structure and electronic properties of heterofullerene C30B15N15

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.684, ss.117-120, 2004 (SCI-Expanded)

Semi-empirical SCF-MO calculations for the structural and electronic properties of single-wall InP nanotubes

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.676, ss.109-113, 2004 (SCI-Expanded)

A comparative study of empirical potential energy functions: Applications to silicon microclusters

Erkoc S., Takahashi K.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C , cilt.15, sa.3, ss.403-408, 2004 (SCI-Expanded)

Molecular-dynamics simulations of surface and bulk properties of Zn, Cd, and ZnCd systems

Amirouche L., Erkoc S.

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS , cilt.241, sa.2, ss.292-297, 2004 (SCI-Expanded)

A study of the Cu clusters using gray-coded genetic algorithms and differential evolution

Chakraborti N., Mishra P., Erkoc S.

JOURNAL OF PHASE EQUILIBRIA AND DIFFUSION , cilt.25, sa.1, ss.16-21, 2004 (SCI-Expanded)

Structural and energetic features of AlnTinNin (n=1-16) nanoparticles: molecular-dynamics simulations

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING , cilt.12, sa.1, ss.109-120, 2004 (SCI-Expanded)

Ammonia deposition in fullerene: (NH3)(n) @C-60

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.640, ss.57-61, 2003 (SCI-Expanded)

AlTiNi ternary alloy clusters: Molecular dynamics simulations and density functional theory calculations

Erkoc S., Oymak H.

JOURNAL OF PHYSICAL CHEMISTRY B , cilt.107, sa.44, ss.12118-12125, 2003 (SCI-Expanded)

AM1 treatment of endohedrally hydrogen doped fullerene, nH(2)@C-60

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.638, ss.37-40, 2003 (SCI-Expanded)

AMI treatment of substitutionally Al and P doped cyclacenes

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.637, ss.189-193, 2003 (SCI-Expanded)

Structural features and energetics of Znn-mCdm (n=7,8) microclusters and Zn-50, Cd-50, and Zn25Cd25 nanoparticles: Molecular-dynamics simulations

Amirouche L., Erkoc S.

PHYSICAL REVIEW A , cilt.68, sa.4, 2003 (SCI-Expanded)

AM1 treatment of substitutionally Al and P doped cyclacenes

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.636, ss.143-147, 2003 (SCI-Expanded)

Structural and electronic properties of endofullerenes X@C-60

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.634, ss.195-199, 2003 (SCI-Expanded)

Resveratrol and its analogues resveratrol-dihydroxyl isomers: semi-empirical SCF-MO calculations

Erkoc S., Keskin N., Erkoc F.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.631, ss.67-73, 2003 (SCI-Expanded)

Structural and electronic properties of ajoene molecule

Erkoc S., Sumer S., Erkoc F.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.631, ss.271-276, 2003 (SCI-Expanded)

Theoretical investigation of hydroxytyrosol and its radicals

Erkoc F., Keskin N., Erkoc S.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.625, ss.87-94, 2003 (SCI-Expanded)

Structural and electronic properties of magnesium diboride

INTERNATIONAL JOURNAL OF MODERN PHYSICS C , cilt.14, sa.4, ss.483-489, 2003 (SCI-Expanded)

Structural and electronic properties of neodymium diiodide

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.623, ss.79-81, 2003 (SCI-Expanded)

A theoretical study on certain iron-sulfur and iron-selenium clusters

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.623, ss.17-21, 2003 (SCI-Expanded)

Structural and electronic properties of ZnmCdn microclusters: density functional theory calculations

Erkoc S., Leblebicioglu K., Halici U.

CHEMICAL PHYSICS LETTERS , cilt.369, ss.605-609, 2003 (SCI-Expanded)

Application of genetic algorithms to geometry optimization of microclusters: A comparative study of empirical potential energy functions for silicon

MATERIALS AND MANUFACTURING PROCESSES , cilt.18, sa.3, ss.329-339, 2003 (SCI-Expanded)

Structural and electronic properties of AlkTilNim microclusters: Density-functional-theory calculations

PHYSICAL REVIEW A , cilt.66, sa.3, 2002 (SCI-Expanded)

Simulation of the Casimir-Polder effect for various geometries

Tasci E., Erkoc S.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C , cilt.13, sa.7, ss.979-985, 2002 (SCI-Expanded)

Structural and electronic properties of guanine and guanosine

Erkoc F., Erkoc S.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.589, ss.405-411, 2002 (SCI-Expanded)

Gold deposition on GaAs(001) surfaces: Molecular-dynamics simulations

Erkoc S., Amirouche L., Rouaiguia L.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C , cilt.13, sa.6, ss.759-769, 2002 (SCI-Expanded)

Decomposition of SiH4 on the S-A type stepped Si(100) surface

SURFACE REVIEW AND LETTERS , cilt.9, ss.1401-1407, 2002 (SCI-Expanded)

Structural and electronic properties of porphyrin skeleton of chlorophyll

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.579, ss.41-44, 2002 (SCI-Expanded)

Stability of carbon nanoonion C-20@C-60@C-240: Molecular dynamics simulations

NANO LETTERS , cilt.2, sa.3, ss.215-217, 2002 (SCI-Expanded)

Structural and electronic properties of rubreneperoxides

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.578, ss.99-101, 2002 (SCI-Expanded)

Borazine embedded cyclacenes-MINDO3 treatment

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.578, ss.65-69, 2002 (SCI-Expanded)

Electronic properties of open-ended single wall carbon nanotubes

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.577, ss.131-135, 2002 (SCI-Expanded)

Interaction of nitric oxide with elements

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.574, ss.127-132, 2001 (SCI-Expanded)

Energetics and stability of discrete charge distribution on a conducting disk

Erkoc S., Oymak H.

PHYSICS LETTERS A , cilt.290, ss.28-34, 2001 (SCI-Expanded)

Structural and electronic properties of carbon nanoballs: C-20, C-60, and C-20@C-60

INTERNATIONAL JOURNAL OF MODERN PHYSICS C , cilt.12, sa.9, ss.1391-1399, 2001 (SCI-Expanded)

Structural and electronic properties of PFOS and LiPFOS

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.549, sa.3, ss.289-293, 2001 (SCI-Expanded)

Structural and electronic properties of HEME and HEME-X; X = O-2, CO, NO

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.546, ss.175-181, 2001 (SCI-Expanded)

Adsorption of water on single and double layer stepped Si(100) surfaces

Katircioglu S., Salman S., Erkoc S.

SURFACE REVIEW AND LETTERS , cilt.8, ss.251-259, 2001 (SCI-Expanded)

Optical transitions in parabolic GaAs/Ga1-xAlxAs superlattices

Erkoc S., Kokten H.

SURFACE REVIEW AND LETTERS , cilt.8, ss.321-325, 2001 (SCI-Expanded)

Adsorption of hydrogen and oxygen on single and double layer stepped Si(100) surfaces

Salman S., Katircioglu S., Erkoc S.

INTERNATIONAL JOURNAL OF MODERN PHYSICS B , cilt.15, sa.16, ss.2261-2274, 2001 (SCI-Expanded)

Structural and electronic properties of single-wall BN nanotubes

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.542, ss.89-93, 2001 (SCI-Expanded)

Structural and electronic properties of MTA

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.542, ss.95-99, 2001 (SCI-Expanded)

Structural and electronic properties of InmSen microclusters: density functional theory calculations

Erkoc S., Katircioglu S., Yilmaz T.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.542, ss.101-105, 2001 (SCI-Expanded)

Molecular-dynamics simulations of carbon nanocage structures: Nanoballs and nanotoroids

Erkoc S., Vural D.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C , cilt.12, sa.5, ss.685-690, 2001 (SCI-Expanded)

Structural and electronic properties of borazine cyclacenes

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.540, ss.153-156, 2001 (SCI-Expanded)

Structural and electronic properties of halogenated coronene

Erkoc S., Erkoc F., Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.538, ss.91-97, 2001 (SCI-Expanded)

Fragmentation of water clusters: Molecular-dynamics simulation study

Erkoc S., Kokten H., Guvenc Z.

EUROPEAN PHYSICAL JOURNAL D , cilt.13, sa.3, ss.361-365, 2001 (SCI-Expanded)

Electronic band structure of stepped Si(100) surfaces

Salman S., Katircioglu S., Erkoc S.

SURFACE REVIEW AND LETTERS , cilt.8, ss.61-66, 2001 (SCI-Expanded)

Structural and electronic properties of bare and hydrogenated silicon clusters

PHYSICA E , cilt.9, sa.2, ss.314-320, 2001 (SCI-Expanded)

Energetics and stability of discrete charge distribution on the surface of a sphere

INTERNATIONAL JOURNAL OF MODERN PHYSICS C , cilt.12, sa.2, ss.293-305, 2001 (SCI-Expanded)

Structural and electronic properties of perchlorocoronene

Erkoc S., Erkoc F., Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.535, ss.159-164, 2001 (SCI-Expanded)

Molecular-dynamics simulations of gold clusters

Bastug T., Hirata M., Varga S., Fricke B., Erkoc S., Mukoyama T.

ADVANCES IN QUANTUM CHEMISTRY, VOL 37 , cilt.37, ss.353-364, 2001 (SCI-Expanded)

Melting and fragmentation of nickel nanoparticles: Molecular-dynamics simulations

Gunes B., Erkoc S.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C , cilt.11, sa.8, ss.1567-1580, 2000 (SCI-Expanded)

Borazine embedded cyclacenes - a theoretical study

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.531, ss.401-405, 2000 (SCI-Expanded)

Rules for the distribution of point charges on a conducting disk

Erkoc S., Oymak H.

PHYSICAL REVIEW E , cilt.62, sa.3, 2000 (SCI-Expanded)

Energetics of arsenic terminated GaAs(001) surfaces

Erkoc S., Kokten H.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C , cilt.11, sa.6, ss.1225-1237, 2000 (SCI-Expanded)

Zirconium microclusters: molecular-dynamics simulations and density functional calculations

Bastug T., Erkoc S., Hirata M., Tachimori S.

PHYSICA E , cilt.8, sa.3, ss.223-229, 2000 (SCI-Expanded)

From carbon nanotubes to carbon nanorods

INTERNATIONAL JOURNAL OF MODERN PHYSICS C , cilt.11, sa.6, ss.1247-1255, 2000 (SCI-Expanded)

Stability of gold clusters: molecular-dynamics simulations

PHYSICA E , cilt.8, sa.3, ss.210-218, 2000 (SCI-Expanded)

General analytic density distribution function for atoms

INTERNATIONAL JOURNAL OF MODERN PHYSICS C , cilt.11, sa.6, ss.1167-1177, 2000 (SCI-Expanded)

Molecular-dynamics simulation of stepped Si(100) surface

Katircioglu S., Salman S., Erkoc S.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C , cilt.11, sa.5, ss.999-1011, 2000 (SCI-Expanded)

Molecular-dynamics simulations of water clusters

Erkoc S., Guneyler E.

PHYSICA E , cilt.8, sa.1, ss.40-49, 2000 (SCI-Expanded)

Decomposition of C-60 molecules on Si(100)(2 x 1) surface

INTERNATIONAL JOURNAL OF MODERN PHYSICS C , cilt.11, sa.5, ss.1067-1076, 2000 (SCI-Expanded)

Molecular-dynamics simulations of nickel clusters

Erkoc S., Gunes B., Gunes P.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C , cilt.11, sa.5, ss.1013-1024, 2000 (SCI-Expanded)

Molecular-dynamics simulation of radiation damage on copper clusters

INTERNATIONAL JOURNAL OF MODERN PHYSICS C , cilt.11, sa.5, ss.1025-1032, 2000 (SCI-Expanded)

Energetics and stability of small SimCn clusters: AM1 and PM3 calculations

PHYSICA E , cilt.8, sa.1, ss.50-56, 2000 (SCI-Expanded)

Distribution of point charges on a thin conducting disk

INTERNATIONAL JOURNAL OF MODERN PHYSICS C , cilt.11, sa.5, ss.891-900, 2000 (SCI-Expanded)

A comparative study of empirical potential energy functions: Applications to clusters

Gunes P., Simsek S., Erkoc S.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C , cilt.11, sa.3, ss.451-467, 2000 (SCI-Expanded)

The effect of PBC on the simulation of nanotubes

INTERNATIONAL JOURNAL OF MODERN PHYSICS C , cilt.11, sa.3, ss.547-551, 2000 (SCI-Expanded)

Structural and electronic properties of carbon nanotubes

INTERNATIONAL JOURNAL OF MODERN PHYSICS C , cilt.11, sa.1, ss.175-182, 2000 (SCI-Expanded)

Energetics and structural stability of lanthanum microclusters

Erkoc S., Bastug T., Hirata M., Tachimori S.

CHEMICAL PHYSICS LETTERS , cilt.314, ss.203-209, 1999 (SCI-Expanded)

Monte Carlo computer simulation of copper clusters

Erkoc S., Shaltaf R.

PHYSICAL REVIEW A , cilt.60, sa.4, ss.3053-3057, 1999 (SCI-Expanded)

Atomic and electronic properties of spherical silicon clusters

PHYSICA E , cilt.4, sa.3, ss.185-191, 1999 (SCI-Expanded)

Electronic structure of carbon nanotubes: AM1-RHF calculations

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES , cilt.4, sa.3, ss.192-195, 1999 (SCI-Expanded)

Application of density-functional theory to atomic resonances

Erkoc S., Jansen H.

PHYSICAL REVIEW A , cilt.59, sa.3, ss.2490-2493, 1999 (SCI-Expanded)

Molecular-dynamics simulations of uranium microclusters

Erkoc S., Bastug T., Hirata M., Tachimori S.

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN , cilt.68, sa.2, ss.440-445, 1999 (SCI-Expanded)

Energetics of carbon nanotubes

Erkoc S., Ozkaymak S.

EUROPEAN PHYSICAL JOURNAL D , cilt.4, sa.3, ss.331-333, 1998 (SCI-Expanded)

Dependence of energy levels and optical transitions on layer thicknesses in InSe/GaSe superlattices

Katircioglu S., Erkoc S., Allahverdi K.

JOURNAL OF CRYSTAL GROWTH , cilt.194, ss.331-335, 1998 (SCI-Expanded)

Optical transitions in InSe/GaSe superlattices

THIN SOLID FILMS , cilt.323, ss.194-198, 1998 (SCI-Expanded)

An atomistic study on the stretching of nanowires

Mehrez H., Ciraci S., Fong C., Erkoc S.

JOURNAL OF PHYSICS-CONDENSED MATTER , cilt.9, sa.49, ss.10843-10854, 1997 (SCI-Expanded)

Molecular-dynamics simulation of the structural stability, energetics, and melting of Cu-n(n=13-135) clusters

Ozdogan C., Erkoc S.

ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS , cilt.41, sa.3, ss.205-209, 1997 (SCI-Expanded)

Adsorption of H2O on double layer stepped Si(111) surface

SURFACE SCIENCE , cilt.374, ss.208-214, 1997 (SCI-Expanded)

Optical transitions in Si/Ge superlattices

THIN SOLID FILMS , cilt.295, ss.206-209, 1997 (SCI-Expanded)

Investigation of HMO spectra of Huckel and Mobius type cyclacenes

TURKISH JOURNAL OF CHEMISTRY , cilt.21, sa.3, ss.167-172, 1997 (SCI-Expanded)

Empirical many-body potential energy functions used in computer simulations of condensed matter properties

PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS , cilt.278, sa.2, ss.80-105, 1997 (SCI-Expanded)

Water adsorption on the stepped Si(110) surface

PHYSICA STATUS SOLIDI B-BASIC RESEARCH , cilt.196, sa.1, ss.77-84, 1996 (SCI-Expanded)

AN EMPIRICAL MANY-BODY POTENTIAL-ENERGY FUNCTION CONSTRUCTED FROM PAIR-INTERACTIONS

ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS , cilt.32, sa.3, ss.257-260, 1994 (SCI-Expanded)

ELECTRONIC STATES OF INSE GASE SUPERLATTICE

ERKOC S., ALLAHVERDI K., IBRAHIM Z.

SOLID STATE COMMUNICATIONS , cilt.90, sa.9, ss.553-556, 1994 (SCI-Expanded)

ADSORPTION SITES OF GE ADATOMS ON STEPPED SI(110) SURFACE

SURFACE SCIENCE , cilt.311, sa.3, 1994 (SCI-Expanded)

DEPENDENCE OF RESONANCE STATES ON DOPING LEVEL AND DOPING DISTRIBUTION TYPE IN GAAS GA0.75AL0.25AS SUPERLATTICE

SURFACE SCIENCE , cilt.311, 1994 (SCI-Expanded)

BULK AND SURFACE-PROPERTIES OF ALUMINUM - A MOLECULAR-DYNAMICS SIMULATION

ELBAYYARI Z., ERKOC S.

MATERIALS CHEMISTRY AND PHYSICS , cilt.37, sa.4, ss.382-388, 1994 (SCI-Expanded)

EMPIRICAL TIGHT-BINDING TOTAL ELECTRONIC-ENERGY CALCULATION FOR SINH2M (N = 1 TO 6, M = 1 TO 3) CLUSTERS

KATIRCIOGLU S., ERKOC S., HALICIOGLU T.

PHYSICA STATUS SOLIDI B-BASIC RESEARCH , cilt.177, sa.2, ss.373-378, 1993 (SCI-Expanded)

ELECTRONIC-ENERGY CALCULATION OF C-60 CLUSTERS

MATERIALS CHEMISTRY AND PHYSICS , cilt.34, sa.1, ss.78-80, 1993 (SCI-Expanded)

SIMULATION CALCULATIONS FOR GOLD CLUSTERS ON THE GAAS(110) SURFACE

ERKOC S., HALICIOGLU T., TILLER W.

SURFACE SCIENCE , cilt.274, sa.3, ss.359-362, 1992 (SCI-Expanded)

A NEW CLASS OF EMPIRICAL MANY-BODY POTENTIAL-ENERGY FUNCTIONS FOR BULK AND CLUSTER PROPERTIES

PHYSICA STATUS SOLIDI B-BASIC RESEARCH , cilt.171, sa.2, ss.317-324, 1992 (SCI-Expanded)

MOLECULAR-DYNAMICS COMPUTER-SIMULATION OF ALUMINUM CLUSTERS (ALN N = 3 TO 55) - EMPIRICAL MANY-BODY POTENTIAL-ENERGY FUNCTION CALCULATION

ELBAYYARI Z., ERKOC S.

PHYSICA STATUS SOLIDI B-BASIC RESEARCH , cilt.170, sa.1, ss.103-111, 1992 (SCI-Expanded)

STRUCTURAL STABILITY AND ENERGETICS OF SI4 ISOMERS - TOTAL ELECTRONIC-ENERGY CALCULATION

CHEMICAL PHYSICS LETTERS , cilt.184, ss.118-120, 1991 (SCI-Expanded)

STRUCTURAL STABILITY AND ENERGETICS OF AS, SB AND BI MICROCLUSTERS - EMPIRICAL MANY-BODY POTENTIAL-ENERGY FUNCTION CALCULATION

CHEMICAL PHYSICS LETTERS , cilt.182, sa.5, ss.451-454, 1991 (SCI-Expanded)

STRUCTURAL STABILITY AND ENERGETICS OF SULFUR MICROCLUSTERS - AN MNDO CALCULATION

YILMAZ H., ERKOC S.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , cilt.77, ss.63-76, 1991 (SCI-Expanded)

STRUCTURAL STABILITY AND ENERGETICS OF C, SI, AND GE MICROCLUSTERS - EMPIRICAL MANY-BODY POTENTIAL-ENERGY FUNCTION CALCULATION

ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS , cilt.19, ss.423-425, 1991 (SCI-Expanded)

EMPIRICAL MANY-BODY POTENTIAL-ENERGY FUNCTION FOR SILVER AND GOLD - APPLICATION TO MICROCLUSTERS

CHEMICAL PHYSICS LETTERS , cilt.173, sa.1, ss.57-62, 1990 (SCI-Expanded)

STRUCTURAL STABILITY AND ENERGETICS OF FCC METAL MICROCLUSTERS - EMPIRICAL MANY-BODY POTENTIAL-ENERGY FUNCTION CALCULATION

PHYSICA STATUS SOLIDI B-BASIC RESEARCH , cilt.161, sa.1, ss.211-216, 1990 (SCI-Expanded)

A NEW EMPIRICAL MANY-BODY POTENTIAL-ENERGY FUNCTION - APPLICATION TO MICROCLUSTERS - ELEMENTS IN BCC, FCC, AND HCP STRUCTURES

PHYSICA STATUS SOLIDI B-BASIC RESEARCH , cilt.155, sa.2, ss.461-465, 1989 (SCI-Expanded)

A NEW EMPIRICAL MANY-BODY POTENTIAL-ENERGY FUNCTION - APPLICATION TO MICROCLUSTERS

PHYSICA STATUS SOLIDI B-BASIC RESEARCH , cilt.152, sa.2, ss.447-454, 1989 (SCI-Expanded)

MOLECULAR-DYNAMICS SIMULATION OF GALLIUM MICROCLUSTERS

JOURNAL OF CRYSTAL GROWTH , cilt.94, sa.3, ss.807-809, 1989 (SCI-Expanded)

METALLIC PHASE OF AMORPHOUS-SILICON

ERKOC S., KATIRCIOGLU S.

JOURNAL OF NON-CRYSTALLINE SOLIDS , cilt.107, ss.328-329, 1989 (SCI-Expanded)

DISSOCIATION OF Au-n (n=3,4) MICROCLUSTERS: A MOLECULAR DYNAMICS SIMULATION