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Showing 10 out of a total of 81 results for community: Fakülteler / Faculties.
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Optimized geometry, vibration (IR and Raman) spectra and nonlinear optical activity of p-nitroanilinium perchlorate molecule: A theoretical study
Tamer, Ömer
;
Ahmet Sefa Atalay
;
Avcı, Davut
;
Atalay, Yusuf
;
Erdogan Tarcan
;
Mariusz K. Marchewka
(
DE GRUYTER OPEN LTD
,
2016
)
The effects of electronegative substituent atoms on structural, vibrational, electronic and NLO properties of some 4-nitrostilbene derivates
Tamer, Ömer
;
Avcı, Davut
;
Atalay, Yusuf
(
PERGAMON-ELSEVIER SCIENCE LTD
,
2015
)
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
)
Comparative study of DFT/B3LYP, B3PW91, and HSEH1PBE methods applied to molecular structures and spectroscopic and electronic properties of flufenpyr and amipizone
Avcı, Davut
;
S. Bahceli
;
Tamer, Ömer
;
Atalay, Yusuf
(
CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS
,
2015
)
Geometry Optimization, Spectral Analysis, Molecular Electrostatic Potential Surface, and Nonlinear Optical Activity of 4-Methyl Anilinium Phenolsulfonate: a DFT Study
Tamer, Ömer
;
Avcı, Davut
;
Atalay, Yusuf
(
SPRINGER
,
2015
)
Theoretical Investigation of 6-(3,3,4,4,4-Pentafluoro-2-Hydroxy-1-Butenyl)-2,4-Dimethoxy-Pyrimidine Molecule
Hacer Pir
;
Nergin Gunay
;
Avcı, Davut
;
Tamer, Ömer
;
Erdogan Tarcan
;
Atalay, Yusuf
(
SPRINGER HEIDELBERG
,
2014
)
Theoretical analysis on structural, spectroscopic, and electronic properties of some 2-aminobenzimidazole complexes by using PBE1PBE, B3LYP, and HF methods
Tamer, Ömer
;
Fatih Gozuacik
;
Avcı, Davut
;
Atalay, Yusuf
(
PLEIADES PUBLISHING INC
,
2014
)
Crystal structure, spectroscopic (FT-IR, H-1 and C-13 NMR) characterization and density functional theory calculations on Ethyl 2-(dichloromethyl)-4-methyl-1-phenyl-6-thioxo-1,6-dihydropyrimidine-5-carboxylate
A. Pekparlak
;
Tamer, Ömer
;
S. D. Kanmazalp
;
N. Berber
;
Arslan, Mustafa
;
Avcı, Davut
;
N. Dege
;
E. Tarcan
;
Atalay, Yusuf
(
ELSEVIER SCIENCE BV
,
2018
)
Synthesis, crystal structure, spectroscopic characterization and nonlinear optical properties of (Z)-N '-(2,4-dinitrobenzylidene)-2-(quinolin-8-yloxy) acetohydrazide
N. Boukabcha
;
A. A. Djafri
;
Y. Megrouss
;
Tamer, Ömer
;
Avcı, Davut
;
Tuna, Murat
;
N. Dege
;
A. Chouaih
;
Atalay, Yusuf
;
A. Djafri
;
E. Hamzaoui
(
ELSEVIER SCIENCE BV
,
2019
)
Theoretical analysis on structural, spectroscopic, and electronic properties of some 2-aminobenzimidazole complexes by using PBE1PBE, B3LYP, and HF methods
Tamer, Ömer
;
Gözükızıl, Ömer Faruk
;
Avcı, Davut
;
Atalay, Yusuf
(
PLEIADES PUBLISHING INC
,
2014
)
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Author
Atalay, Yusuf (81)
Avcı, Davut (81)
Tamer, Ömer (68)
Başoğlu, Adil (12)
Necmi Dege (11)
Sumeyye Alturk (9)
Belma Zengin Kurt (6)
A. Chouaih (4)
Bunyemin Cosut (4)
Erdogan Tarcan (4)
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Chemistry (30)
Physics (12)
Spectroscopy (9)
Materials Science (4)
Science & Technology - Other Topics (3)
4-methoxybenzaldehyde-N-methyl-4-stilbazolium tosylate; spectroscopic and structural properties; natural bond orbital analysis; nonlinear optical parameters; Hartree-Fock and density functional theory calculations (2)
C-6 fluoroalkylated pyridine; potential energy scan; natural bonding orbital analysis; nonlinear optical properties; HF and DFT calculations (2)
Polymer Science (2)
(E)-2-(((4-bromo-2-(trifluoromethoxy)phenyl)imino)methyl)-4-nitrophenol; Crystal structure; Vibrational spectroscopy; DFT calculations; NLO and NBO analysis (1)
(Z)-1-((naphthalen-2-ylamino)methylene)naphthalen-2(1H)-one; IR spectra; DFT calculations; NLO and NBO analysis; Conformational analysis (1)
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2014 (17)
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