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Vibrational spectra and molecular structure of chiral and racemic 4-phenyl-1,3-oxazolidin-2-one by density functional theory and ab initio Hartree-Fock calculations
Atalay, Yusuf
;
Avcı, Davut
;
Başoğlu, Adil
(
PERGAMON-ELSEVIER SCIENCE LTD
,
2006
)
Theoretical studies of molecular structure and vibrational spectra of 2-amino-5-phenyl-1,3,4-thiadiazole
Atalay, Yusuf
;
Avcı, Davut
;
Başoğlu, Adil
(
PERGAMON-ELSEVIER SCIENCE LTD
,
2006
)
The molecular structure and vibrational spectra of 1-amino-5-benzoyl-4-phenylpyrimidin-2(1H) by Hartree-Fock and density functional methods
Atalay, Yusuf
(
PERGAMON-ELSEVIER SCIENCE LTD
,
2006
)
Copper(II) complex with 6-methylpyridine-2-carboxyclic acid: Experimental and computational study on the XRD, FT-IR and UV-Vis spectra, refractive index, band gap and NLO parameters
Sumeyye Alturk
;
Avcı, Davut
;
Başoğlu, Adil
;
Tamer, Ömer
;
Atalay, Yusuf
;
Necmi Dege
(
PERGAMON-ELSEVIER SCIENCE LTD
,
2018
)
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
)
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
)
GIAO calculations of chemical shifts in ethene-1,1,2,2-tetrayltetramethylene tetrathiocyanate
Atalay, Yusuf
;
Avcı, Davut
(
TAYLOR & FRANCIS INC
,
2008
)
Molecular structure, vibrational and chemical shift assignments of 8-hydroxy-1-methylquinolinium iodide hydrate by density functional theory (DFT) and ab initio Hartree-Fock (HF) calculations
Atalay, Yusuf
;
Avcı, Davut
;
Başoğlu, Adil
(
PERGAMON-ELSEVIER SCIENCE LTD
,
2008
)
Molecular structure and vibrational assignment of melaminium phthalate by density functional theory (DFT) and ab initio Hartree-Fock (HF) calculations
Avcı, Davut
;
Atalay, Yusuf
(
PERGAMON-ELSEVIER SCIENCE LTD
,
2008
)
Molecular structure, IR and NMR spectra of 2,6 distyrylpyridine by density functional theory and ab initio Hartree-Fock calculations
Atalay, Yusuf
;
Başoğlu, Adil
;
Avcı, Davut
(
PERGAMON-ELSEVIER SCIENCE LTD
,
2008
)
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Atalay, Yusuf (23)
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