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Yayın Arama

Toplam 23723 kayıt

Neural network consistent empirical physical formula construction for DFT based nonlinear vibrational spectra intensities of N 2 methylphenyl and N 3 methylphenyl methanesulfonamides
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2011 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Journal of Molecular Structure

Electrical Characterization of Interdigitated Humidity Sensors Based on CNT Modified Calixarene Molecules
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2013 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Acta Polonica Physica A

Molecular structure and vibrational assignments of hippuric acid A detailed density functional theoretical study
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2009 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Synthesis structure characterization and antimicrobial evaluation of 4 substituted phenylazo 3 5 diacetamido 1H pyrazoles
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2013 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Erratum to Experimental FT IR and FT Raman spectra and theoretical ab initio HF DFT study of 2 chloro 5 methylaniline Journal of Molecular Structure 892 2008 25 31
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2009 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Journal of Molecular Structure

Experimental and theoretical FTIR and FT Raman spectroscopic analysis of 1 pyrenecarboxylic acid
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2013 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

The spectroscopic FT IR FT Raman UV and NMR first order hyperpolarizability and HOMO LUMO analysis of dansyl chloride
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2014 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Morphological analysis of the antibacterial action of chitosan on gram negative bacteria using atomic force microscopy
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2013 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Current Opinion in Biotechnology

Molecular structure vibrational spectra and HOMO LUMO analysis of 4 piperidone by density functional theory and ab initio Hartree Fock calculations
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2009 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Molecular Simulation

Molecular structure and vibrational spectra of 1 3 bis 4 pyridyl propane by quantum chemical calculations
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2008 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Molecular structure and vibrational spectra of 2 amino 5 methyl pyridine and 2 amino 6 methyl pyridine by density functional methods
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2008 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Journal of Molecular Structure

FT IR and FT Raman spectra vibrational assignments NBO analysis and DFT calculations of 2 amino 4 chlorobenzonitrile
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2011 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Journal of Molecular Structure

FT IR FT Raman vibrational spectra and molecular structure investigation of 2 chloro 4 methylaniline A combined experimental and theoretical study
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2009 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Computational note on molecular structure and vibrational spectra of 6 and 8 methylquinoline molecules by quantum mechanical methods
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2007 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Journal of Molecular Structure: THEOCHEM

Neural network consistent empirical physical formula construction for density functional theory based nonlinear vibrational absorbance and intensity of 6 choloronicotinic acid molecule
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2012 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Molecular structure vibrational UV and NBO analysis of 4 chloro 7 nitrobenzofurazan by DFT calculations
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2011 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

FT IR FT Raman ab initio and DFT structural and vibrational frequency analysis of 6 aminopenicillanic acid
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2010 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Theoretical and experimental study on metal II halide complexes of 1 3 bis 4 pyridyl propane
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2009 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Journal of Inclusion Phenomena and Macrocyclic Chemistry

FT IR UV spectroscopic and DFT quantum chemical study on the molecular conformation vibrational and electronic transitions of 2 aminoterephthalic acid
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2010 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Journal of Molecular Structure

Molecular structure anharmonic vibrational frequencies and NBO analysis of naphthalene acetic acid by density functional theory calculations
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2010 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy