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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
)
Synthesis, molecular structure, spectral analysis and nonlinear optical studies on 4-(4-bromophenyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-amine: A combined experimental and DFT approach
Tamer, Ömer
;
Baris Seckin Arslan
;
Avcı, Davut
;
Nebioğlu, Mehmet
;
Atalay, Yusuf
;
Bunyemin Cosut
(
ELSEVIER SCIENCE BV
,
2016
)
Structural and Spectroscopic Characterization of 1-(5-Brornothiophen-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one: An Analysis of Electronic and NLO Properties
Tamer, Ömer
;
Avcı, Davut
;
Atalay, Yusuf
(
POLISH ACAD SCIENCES INST PHYSICS
,
2014
)
Theoretical Investigation of N-Methyl-N '-(4-nitrobenzylidene) pyrazine-2-carbohydrazide: Conformational Study, NBO Analysis, Molecular Structure and NMR Spectra
N. Gunay
;
Tamer, Ömer
;
D. Kuzalic
;
Avcı, Davut
;
Atalay, Yusuf
(
POLISH ACAD SCIENCES INST PHYSICS
,
2015
)
Synthesis, crystal structure, spectroscopic characterization and nonlinear optical properties of Co(II)- picolinate complex
Tamer, Ömer
;
Avcı, Davut
;
Atalay, Yusuf
(
ELSEVIER SCIENCE SA
,
2015
)
Novel Cu(II), Co(II) and Zn(II) metal complexes with mixed-ligand: Synthesis, crystal structure, alpha-glucosidase inhibition, DFT calculations, and molecular docking
Avcı, Davut
;
Sumeyye Alturk
;
Fatih Sonmez
;
Tamer, Ömer
;
Başoğlu, Adil
;
Atalay, Yusuf
;
Belma Zengin Kurt
;
Necmi Dege
(
ELSEVIER
,
2019
)
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Tamer, Ömer (71)
Atalay, Yusuf (67)
Avcı, Davut (67)
Necmi Dege (11)
Sumeyye Alturk (9)
Başoğlu, Adil (8)
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Chemistry (28)
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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