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Showing 6 out of a total of 16 results for collection: Makale Koleksiyonu.
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Crystal structure and spectroscopic characterization of (E)-2-(((4-bromo-2-(trifluoromethoxy)phenyl)imino)methyl)-4-nitrophenol: A combined experimental and computational study
Tamer, Ömer
;
Necmi Dege
;
Gunes Demirtas
;
Avcı, Davut
;
Atalay, Yusuf
;
Mustafa Macit
(
ELSEVIER SCIENCE BV
,
2014
)
Theoretical Investigations on Nonlinear Optical and Spectroscopic Properties of 6-(3,3,4,4,4-Pentafluoro-2-hydroxy-1-butenyl)-2,4-pyrimidinedione: An Efficient NLO Material
Hacer Pir Gumus
;
Tamer, Ömer
;
Avcı, Davut
;
Erdogan Tarcan
;
Atalay, Yusuf
(
MAIK NAUKA/INTERPERIODICA/SPRINGER
,
2014
)
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
)
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
)
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
)
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Author
Atalay, Yusuf (16)
Avcı, Davut (16)
Tamer, Ömer (16)
Erdogan Tarcan (2)
Hacer Pir Gumus (2)
Mustafa Macit (2)
Necmi Dege (2)
Ayşen Alaman Ağar (1)
Fatih Gozuacik (1)
Gumus, Hp (1)
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Subject
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)
(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)
C-6 fluoroalkylated pyridine; Potential energy scan; Natural bonding orbital analysis; Nonlinear optical properties; HF and DFT calculations (1)
N,N-dimethyltryptamine; Bioactivity; B3LYP and HSEh1PBE; NLO and NBO analysis (1)
N-(2-hydroxybenzylidene)acetohydrazide (HBAH); DFT calculations; NLO and NBO analysis; Conformational analysis (1)
Nicotinic acid; X-ray diffraction; FT-IR and NMR; Ab initio calculations; Electrostatic potential molecular surfaces (1)
Spectroscopy (1)
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Date Issued
2014 (16)
Has File(s)
No (16)