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Yayın Arama

Toplam 23805 kayıt

Conformational, Structural, Vibrational, Electronic, and MolecularDocking Studies of 3-Formylphenylboronic Acidand 4-Formylphenylboronic Acid: A Comparative Study
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2020 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Russian Journal of Physical Chemistry A

A multi-spectroscopic, computational and molecular modeling studieson anti-apoptotic proteins with Boc-D-Lys-OH
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2020 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
JOURNAL OF MOLECULAR STRUCTURE

Synthesis and spectroscopic characterization on 4 2 5 di 2 thienyl 1H pyrrol 1 yl benzoic acid A DFT approach
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2016 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Spectroscopic studies on 9H carbazole 9 4 phenyl boronic acid pinacol ester by DFT method
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2016 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
JOURNAL OF MOLECULAR STRUCTURE

DFT FT IR FT Raman and NMR studies of 4 substituted phenylazo 3 5 diacetamido 1H pyrazoles
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2011 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Journal of Molecular Structure

The spectroscopic FT IR FT Raman dispersive Raman and NMR study of ethyl 6 chloronicotinate molecule by combined density functional theory
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2016 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Determination of structural spectrometric and nonlinear optical features of 2 4 hydroxyphenylazo benzoic acid by experimental techniques and quantum chemical calculations
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2013 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Charge transfer through amino groups small molecules interface improving the performance of electroluminescent devices
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2016 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Optical Materials

Synthesis molecular conformation vibrational and electronic transition isometric chemical shift polarizability and hyperpolarizability analysis of 3 4 Methoxy phenyl 2 4 nitro phenyl acrylonitrile A combined experimental and theoretical analysis
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2011 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

FT IR FT Raman NMR and UV vis spectra vibrational assignments and DFT calculations of 4 butyl benzoic acid
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2012 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

The spectroscopic FT IR and FT Raman and theoretical studies of 5 bromo salicylic acid
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2009 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Journal of Molecular Structure

Experimental FT IR and FT Raman spectra and theoretical ab initio HF DFT study of 2 chloro 5 methylaniline
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2008 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Journal of Molecular Structure

FT Raman FT IR spectra and DFT calculations on monomeric and dimeric structures of 5 fluoro and 5 chloro salicylic acid
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2010 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Journal of Raman Spectroscopy

Experimental UV NMR IR and Raman and theoretical spectroscopic properties of 2 chloro 6 methylaniline
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2009 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Molecular Physics

An experimental and theoretical study of molecular structure and vibrational spectra of 3 and 4 pyridineboronic acid molecules by density functional theory calculations
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2008 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Comparison of experimental and density functional study on the molecular structure infrared and Raman spectra and vibrational assignments of 6 chloronicotinic acid
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2008 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

An experimental and theoretical study of molecular structure and vibrational spectra of 2 chloronicotinic acid by density functional theory and ab initio Hartree Fock calculations
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2008 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Journal of Molecular Structure

Monomeric and dimeric structures analysis and spectroscopic characterization of 3 5 difluorophenylboronic acid with experimental FT IR FT Raman 1H and 13C NMR UV techniques and quantum chemical calculations
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2014 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Journal of Molecular Structure

The spectroscopic FT IR FT Raman UV and first order hyperpolarizability HOMO and LUMO analysis of 3 aminobenzophenone by density functional method
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2012 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Ab initio DFT calculations of butyl ammonium salt of O O dibornyl dithiophosphate
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2014 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy