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Items: 12

1.

Development of the ReaxFF Reactive Force Field for Inherent Point Defects in the Si/Silica System.

Nayir N, van Duin ACT, Erkoc S.

J Phys Chem A. 2019 May 16;123(19):4303-4313. doi: 10.1021/acs.jpca.9b01481. Epub 2019 May 6.

PMID:
31017438
2.
3.

Structural properties of ZnO nanotubes under uniaxial strain: molecular dynamics simulations.

Kilic ME, Erkoc S.

J Nanosci Nanotechnol. 2013 Oct;13(10):6597-610.

PMID:
24245120
4.

Quantum chemical treatment of beta-sitosterol molecule.

Kurban S, Erkoç F, Erkoç S.

Pharm Biol. 2010 Jun;48(6):637-42. doi: 10.3109/13880200903229106.

PMID:
20645736
5.

On the SmCo dimer: a detailed density functional theory analysis.

Oymak H, Erkoç S.

J Phys Chem A. 2010 Feb 4;114(4):1897-905. doi: 10.1021/jp908792f.

PMID:
20067228
6.

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

Erkoç S, Erkoç F, Sepici-Dinçel A.

Amino Acids. 2010 Jan;38(1):319-27. doi: 10.1007/s00726-009-0253-8. Epub 2009 Feb 19.

PMID:
19225859
7.

Li+ and Li interactions with carbon nanocage structures.

Peköz R, Erkoç S.

J Nanosci Nanotechnol. 2008 Feb;8(2):675-8.

PMID:
18464390
8.

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

Malcioğlu OB, Erkoç S.

J Nanosci Nanotechnol. 2008 Feb;8(2):469-78.

PMID:
18464360
9.

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

Taşci E, Erkoç S.

J Nanosci Nanotechnol. 2007 Apr-May;7(4-5):1653-61.

PMID:
17450939
10.

Density functional theory calculations for [C(2)H(4)N(2)O(6)]((n)) (n=0, +1, -1).

Türker L, Erkoç S.

J Hazard Mater. 2006 Aug 21;136(2):164-9. Epub 2006 Jan 24.

PMID:
16439057
11.

Thermal stability of benzorods: molecular-dynamics simulations.

Malcioglu OB, Erkoc S.

J Mol Graph Model. 2005 Dec;24(3):213-8. Epub 2005 Sep 12.

PMID:
16157494
12.

Stability of C60 chains: molecular dynamics simulations.

Bariş Malcioğlu O, Erkoç S.

J Mol Graph Model. 2005 Jan;23(4):367-71.

PMID:
15670957

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