Browsing Fizik / Physics by Author "Arioglu, C; Tamer, O; Avci, D; Atalay, Y;"

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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 ...