Search

Your search keyword '"Gozutok, Aysun"' showing total 5 results
Start Over Author "Gozutok, Aysun"
5 results on '"Gozutok, Aysun"'

3. Experimental and Theoretical Investigations on Quadratic and Cubic Optical Nonlinearities of Cu(II), Co(II), Cd(II), Hg(II), Mn(II), and Zn(II) Transition Metal Coordination Complexes

Author

Belahlou, Hadjer, primary, Karakas, Asli, additional, Waszkowska, Karolina, additional, Gozutok, Aysun, additional, Karakaya, Mustafa, additional, Guergouri, Mounia, additional, Bouraiou, Abdelmalek, additional, Bouacida, Sofiane, additional, Sahraoui, Bouchta, additional, and Bouchouit, Karim, additional

Published
2023
Full Text
View/download PDF

5. Density functional calculations on the structural and vibrational properties of 1,4-diaminobutane

Author

Akif Özbay, Aysun Gozutok, Selçuk Üniversitesi, Fen Fakültesi, Fizik Bölümü, and Gozutok, Aysun.

Subjects
1,4-Diaminobutane, B3LYP, 010405 organic chemistry, Infrared, Chemistry, Organic Chemistry, 010402 general chemistry, 01 natural sciences, Molecular physics, 0104 chemical sciences, Analytical Chemistry, Intensity (physics), Inorganic Chemistry, Electronegativity, Moment (mathematics), Dipole, symbols.namesake, symbols, Molecule, Raman spectroscopy, Raman, Spectroscopy
Abstract

WOS: 000492858500054, In this study, the most stable conformation of 1,4-diaminobutane molecule were determined form the previous works. The geometrical parameters and vibrational frequencies of the most stable conformation of 1,4-diaminobutane were calculated by B3LYP/6-311G(d,p) level of theory. Vibrational frequencies of 1,4-diaminobutane assignment and the Infrared and Raman intensity was determined by means of DFT. Also, the dipole moment, electronegativity, electron affinities etc. of the 1,4-diaminobutane were calculated by using DFT approximation. (C) 2019 Elsevier B.V. All rights reserved.

Published
2020

Catalog

Books, media, physical & digital resources
See catalog results