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Showing 10 out of a total of 67 results for collection: Makale Koleksiyonu.
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A new dinuclear copper (II) complex of 2,5-Furandicarboxyclic acid with 4(5)-Methylimidazole as a high potential alpha-glucosidase inhibitor: Synthesis, Crystal structure, Cytotoxicity study, and TD/DFT calculations
Avcı, Davut
;
Sumeyye Alturk
;
Fatih Sonmez
;
Tamer, Ömer
;
Başoğlu, Adil
;
Atalay, Yusuf
;
Belma Zengin Kurt
;
Dilek Ozturk
;
Necmi Dege
(
WILEY
,
2019
)
A novel series of M(II) complexes of 6-methylpyridine-2-carboxylic acid with 4(5)methylimidazole: Synthesis, crystal structures, alpha-glucosidase activity, density functional theory calculations and molecular docking
Avcı, Davut
;
Suemeyye Alturk
;
Fatih Sonmez
;
Tamer, Ömer
;
Başoğlu, Adil
;
Atalay, Yusuf
;
Belma Zengin Kurt
;
Necmi Dege
(
WILEY
,
2019
)
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
;
M. Arslan
;
Avcı, Davut
;
N. Dege
;
E. Tarcan
;
Atalay, Yusuf
(
ELSEVIER SCIENCE BV
,
2018
)
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
)
5-Methyl-2-thiophenecarboxaldehyde: Experimental and TD/DFT study
Avcı, Davut
;
Tamer, Ömer
;
Başoğlu, Adil
;
Atalay, Yusuf
(
ELSEVIER SCIENCE BV
,
2018
)
Spectroscopic (FT-IR,H-1 and C-13 NMR) characterization and density functional theory calculations for (Z)-5-(4-nitrobenzyliden)-3-N(2-ethoxyphenyl)-2-thioxo-thiazolidin-4-one (ARNO)
K. Toubal
;
N. Boukabcha
;
Tamer, Ömer
;
N. Benhalima
;
S. Alturk
;
Avcı, Davut
;
A. Chouaih
;
Atalay, Yusuf
;
A. Djafri
;
F. Hamzaoui
(
ELSEVIER SCIENCE BV
,
2017
)
Solvent effect in implicit/explicit model on FT-IR, H-1, C-13 and F-19 NMR, UV-vis and fluorescence spectra, linear, second- and third-nonlinear optical parameters of 2-(trifluoromethyl)benzoic acid: Experimental and computational study
Avcı, Davut
;
Sumeyye Alturk
;
Tamer, Ömer
;
Mustafa Kusbazoglu
;
Atalay, Yusuf
(
ELSEVIER SCIENCE BV
,
2017
)
Structure-property relationship of 3-(N-phthalimidomethyl)-4-amino-1,2,4-triazole-5-thione: A structural, spectroscopic and DFT study
Tamer, Ömer
;
Moazzam H. Bhatti
;
Uzma Yunus
;
Muhammad Nadeem
;
Avcı, Davut
;
Atalay, Yusuf
;
Azra Yaqub
;
Rumana Quershi
(
ELSEVIER
,
2017
)
Comparison of different hybrid DFT methods on structural, spectroscopic, electronic and NLO parameters for a potential NLO material
Sumeyye Alturk
;
Avcı, Davut
;
Tamer, Ömer
;
Atalay, Yusuf
(
ELSEVIER SCIENCE BV
,
2017
)
Synthesis, spectroscopic characterization and DFT calculations on N-(Phenylsulfonyl)-L-asparagine (NPLAS): A potential nonlinear optical material
Nergin Gunay
;
Tamer, Ömer
;
Dilek Kuzalic
;
Avcı, Davut
;
Atalay, Yusuf
(
ELSEVIER GMBH
,
2016
)
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Author
Tamer, Ömer (67)
Atalay, Yusuf (63)
Avcı, Davut (63)
Necmi Dege (11)
Sumeyye Alturk (9)
Başoğlu, Adil (8)
Belma Zengin Kurt (6)
Erdogan Tarcan (4)
Fatih Sonmez (4)
Hacer Pir Gumus (4)
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Subject
Chemistry (25)
Physics (12)
Spectroscopy (7)
Materials Science (4)
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)
5-(2-Chloroethyl)-2,4-dichloro-6-methylpyrimidine; HF and DFT calculations; Conformational analysis; NBO and NLO analysis (1)
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Date Issued
2014 (16)
2015 (11)
2016 (11)
2018 (9)
2017 (7)
2019 (6)
2013 (4)
2011 (1)
2012 (1)
2020 (1)
Has File(s)
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