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Determination of the optical constants of 2-amino-5-phenyl-1,3,4-thiadiazole by Hartree-Fock and density functional method (B3LYP)
Atalay, Yusuf
(
ELSEVIER SCIENCE BV
,
2005
)
Computational note on theoretical studies of molecular structure and vibrational spectra of 4,8-bis(2-hydroxybenzyl)-cis-octahydro [1,4]-oxazino [3,2-b]-1,4-oxazine
Atalay, Yusuf
;
Avcı, Davut
(
ELSEVIER SCIENCE BV
,
2006
)
Molecular structure and vibrational spectra of melamine diborate by density functional theory and ab initio Hartree-Fock calculations
Atalay, Yusuf
;
Avcı, Davut
;
Başoğlu, Adil
;
Okur, İbrahim
(
ELSEVIER SCIENCE BV
,
2005
)
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
)
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
)
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Author
Atalay, Yusuf (52)
Avcı, Davut (36)
Tamer, Ömer (28)
Başoğlu, Adil (10)
Necmi Dege (8)
Sumeyye Alturk (7)
Avci, Davut (6)
Basoglu, Adil (6)
Tamer, Omer (6)
Yıldız, Salih Zeki (6)
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Subject
Chemistry (52)
DFT (3)
molecular docking (2)
6-Chloropyridine-2-carboxylic acid (1)
alpha-glucosidase and alpha-amylase (1)
crystal structure (1)
Curcumin (1)
density functional calculations (1)
NLO (1)
NLO properties (1)
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Date Issued
2020 - 2023 (8)
2010 - 2019 (35)
2005 - 2009 (9)
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No (52)