Browsing by Author "Karakaş, Duran"

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Computational investigation of molecular structures, spectroscopic properties and antitumor-antibacterial activities of some Schiff bases

Kaya, Serpil; Erkan, Sultan; Karakaş, Duran (ELSEVIER, 2021)

Molecular structures, spectroscopic properties (IR, 1 H NMR and 13C NMR, UV-VIS), molecular electrostatic poten tial maps and some molecular properties (ionization energy, electron affinity, energy gap, hardness, electroneg ...
Investigations substituent effect on structural, spectral and optical properties of phenylboronic acids

Karakaş, Duran; Sayın, Koray; Çöpcü, Burcu (ELSEVIER, 2021)

Ortho- and para-substituent arylboronic acid are investigated. Geometric structure and structural proper ties of these compounds are done. IR and NMR spectrum are calculated for the spectral characterizations. Contour ...