Browsing Makale Koleksiyonu by Author "C. Arioglu"

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A theoretical study on structural, spectroscopic, electronic and electric properties of 4-chloro 4-nitrostilbene

Tamer, Ömer; Avcı, Davut; C. Arioglu; A. Basoslu; Atalay, Yusuf (INDIAN ASSOC CULTIVATION SCIENCE, 2015)

Organic crystals based on the donor and acceptor conjugated system display excellent nonlinear optical properties. In this study, nonlinear optical single crystal 4-chloro 4-nitrostilbene has been modeled on the basis of ...
Optimized geometry, spectroscopic characterization and nonlinear optical properties of carbazole picrate: a density functional theory study

C. Arioglu; Tamer, Ömer; Avcı, Davut; Atalay, Yusuf (INDIAN ASSOC CULTIVATION SCIENCE, 2018)

The molecular modeling of carbazole picrate (CP) was carried out by using B3LYP and HSEH1PBE levels of density functional theory and 6-311++G(d,p) basis set by means of Gaussian 09 revision D.01 program. These methods have ...