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Toplam 23584 kayıt

Molecular structure vibrational spectra and HOMO LUMO analysis of 4 piperidone by density functional theory and ab initio Hartree Fock calculations

Link DOI   N., S., G., E., C., M., B., K., M., K. (2009) "Molecular structure vibrational spectra and HOMO LUMO analysis of 4 piperidone by density functional theory and ab initio Hartree Fock calculations", Molecular Simulation, 35 (9) pp. 705-713 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17837"> N., S., G., E., C., M., B., K., M., K. (2009) "Molecular structure vibrational spectra and HOMO LUMO analysis of 4 piperidone by density functional theory and ab initio Hartree Fock calculations", Molecular Simulation, 35 (9) pp. 705-713 [SCI Expanded] Link DOI   N., S., G., E., C., M., B., K., M., K. (2009) "Molecular structure vibrational spectra and HOMO LUMO analysis of 4 piperidone by density functional theory and ab initio Hartree Fock calculations", Molecular Simulation, 35 (9) pp. 705-713 [SCI Expanded] Link DOI  
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

Link DOI   Yusuf, E., M., T.G., Mustafa, K. (2008) "Molecular structure and vibrational spectra of 1 3 bis 4 pyridyl propane by quantum chemical calculations", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 71 (2) pp. 377-387 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17840"> Yusuf, E., M., T.G., Mustafa, K. (2008) "Molecular structure and vibrational spectra of 1 3 bis 4 pyridyl propane by quantum chemical calculations", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 71 (2) pp. 377-387 [SCI Expanded] Link DOI   Yusuf, E., M., T.G., Mustafa, K. (2008) "Molecular structure and vibrational spectra of 1 3 bis 4 pyridyl propane by quantum chemical calculations", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 71 (2) pp. 377-387 [SCI Expanded] Link DOI  
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

Link DOI   N., S., C., M., Mustafa, K. (2008) "Molecular structure and vibrational spectra of 2 amino 5 methyl pyridine and 2 amino 6 methyl pyridine by density functional methods", Journal of Molecular Structure, 891 (1) pp. 284-291 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17841"> N., S., C., M., Mustafa, K. (2008) "Molecular structure and vibrational spectra of 2 amino 5 methyl pyridine and 2 amino 6 methyl pyridine by density functional methods", Journal of Molecular Structure, 891 (1) pp. 284-291 [SCI Expanded] Link DOI   N., S., C., M., Mustafa, K. (2008) "Molecular structure and vibrational spectra of 2 amino 5 methyl pyridine and 2 amino 6 methyl pyridine by density functional methods", Journal of Molecular Structure, 891 (1) pp. 284-291 [SCI Expanded] Link DOI  
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

Link DOI   S., S., N., S., M., K., M., C., M., K. (2011) "FT IR and FT Raman spectra vibrational assignments NBO analysis and DFT calculations of 2 amino 4 chlorobenzonitrile", Journal of Molecular Structure, 985 (2) pp. 148-156 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17842"> S., S., N., S., M., K., M., C., M., K. (2011) "FT IR and FT Raman spectra vibrational assignments NBO analysis and DFT calculations of 2 amino 4 chlorobenzonitrile", Journal of Molecular Structure, 985 (2) pp. 148-156 [SCI Expanded] Link DOI   S., S., N., S., M., K., M., C., M., K. (2011) "FT IR and FT Raman spectra vibrational assignments NBO analysis and DFT calculations of 2 amino 4 chlorobenzonitrile", Journal of Molecular Structure, 985 (2) pp. 148-156 [SCI Expanded] Link DOI  
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

Link DOI   Mehmet, K., Dilek, K., Mustafa, K. (2009) "FT IR FT Raman vibrational spectra and molecular structure investigation of 2 chloro 4 methylaniline A combined experimental and theoretical study", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 72 (5) pp. 1076-1083 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17843"> Mehmet, K., Dilek, K., Mustafa, K. (2009) "FT IR FT Raman vibrational spectra and molecular structure investigation of 2 chloro 4 methylaniline A combined experimental and theoretical study", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 72 (5) pp. 1076-1083 [SCI Expanded] Link DOI   Mehmet, K., Dilek, K., Mustafa, K. (2009) "FT IR FT Raman vibrational spectra and molecular structure investigation of 2 chloro 4 methylaniline A combined experimental and theoretical study", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 72 (5) pp. 1076-1083 [SCI Expanded] Link DOI  
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

Link DOI   M., K., Ş., Y. (2007) "Computational note on molecular structure and vibrational spectra of 6 and 8 methylquinoline molecules by quantum mechanical methods", Journal of Molecular Structure: THEOCHEM, 804 (1) p. 75 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17844"> M., K., Ş., Y. (2007) "Computational note on molecular structure and vibrational spectra of 6 and 8 methylquinoline molecules by quantum mechanical methods", Journal of Molecular Structure: THEOCHEM, 804 (1) p. 75 [SCI Expanded] Link DOI   M., K., Ş., Y. (2007) "Computational note on molecular structure and vibrational spectra of 6 and 8 methylquinoline molecules by quantum mechanical methods", Journal of Molecular Structure: THEOCHEM, 804 (1) p. 75 [SCI Expanded] Link DOI  
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

Link DOI   Nihat, Y., Mehmet, K., Mustafa, K., Serkan, A. (2012) "Neural network consistent empirical physical formula construction for density functional theory based nonlinear vibrational absorbance and intensity of 6 choloronicotinic acid molecule", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 90 (0) pp. 55-62 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17845"> Nihat, Y., Mehmet, K., Mustafa, K., Serkan, A. (2012) "Neural network consistent empirical physical formula construction for density functional theory based nonlinear vibrational absorbance and intensity of 6 choloronicotinic acid molecule", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 90 (0) pp. 55-62 [SCI Expanded] Link DOI   Nihat, Y., Mehmet, K., Mustafa, K., Serkan, A. (2012) "Neural network consistent empirical physical formula construction for density functional theory based nonlinear vibrational absorbance and intensity of 6 choloronicotinic acid molecule", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 90 (0) pp. 55-62 [SCI Expanded] Link DOI  
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

Link DOI   M., K., Chinna, B.P., N., S., M., C., M., K. (2011) "Molecular structure vibrational UV and NBO analysis of 4 chloro 7 nitrobenzofurazan by DFT calculations", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 79 (5) pp. 1162-1170 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17846"> M., K., Chinna, B.P., N., S., M., C., M., K. (2011) "Molecular structure vibrational UV and NBO analysis of 4 chloro 7 nitrobenzofurazan by DFT calculations", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 79 (5) pp. 1162-1170 [SCI Expanded] Link DOI   M., K., Chinna, B.P., N., S., M., C., M., K. (2011) "Molecular structure vibrational UV and NBO analysis of 4 chloro 7 nitrobenzofurazan by DFT calculations", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 79 (5) pp. 1162-1170 [SCI Expanded] Link DOI  
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

Link DOI   J., S., M., R., V., S., N., S., S., S., M., K. (2010) "FT IR FT Raman ab initio and DFT structural and vibrational frequency analysis of 6 aminopenicillanic acid", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 75 (1) pp. 183-190 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17847"> J., S., M., R., V., S., N., S., S., S., M., K. (2010) "FT IR FT Raman ab initio and DFT structural and vibrational frequency analysis of 6 aminopenicillanic acid", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 75 (1) pp. 183-190 [SCI Expanded] Link DOI   J., S., M., R., V., S., N., S., S., S., M., K. (2010) "FT IR FT Raman ab initio and DFT structural and vibrational frequency analysis of 6 aminopenicillanic acid", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 75 (1) pp. 183-190 [SCI Expanded] Link DOI  
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

Link DOI   Yusuf, E., Tahir, G.M., Mustafa, K., Şenay, Y. (2009) "Theoretical and experimental study on metal II halide complexes of 1 3 bis 4 pyridyl propane", Journal of Inclusion Phenomena and Macrocyclic Chemistry, 64 (3) pp. 341-355 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17848"> Yusuf, E., Tahir, G.M., Mustafa, K., Şenay, Y. (2009) "Theoretical and experimental study on metal II halide complexes of 1 3 bis 4 pyridyl propane", Journal of Inclusion Phenomena and Macrocyclic Chemistry, 64 (3) pp. 341-355 [SCI Expanded] Link DOI   Yusuf, E., Tahir, G.M., Mustafa, K., Şenay, Y. (2009) "Theoretical and experimental study on metal II halide complexes of 1 3 bis 4 pyridyl propane", Journal of Inclusion Phenomena and Macrocyclic Chemistry, 64 (3) pp. 341-355 [SCI Expanded] Link DOI  
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

Link DOI   Mehmet, K., Mehmet, C., Zeliha, U., Mustafa, K. (2010) "FT IR UV spectroscopic and DFT quantum chemical study on the molecular conformation vibrational and electronic transitions of 2 aminoterephthalic acid", Journal of Molecular Structure, 982 (1) pp. 22-27 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17849"> Mehmet, K., Mehmet, C., Zeliha, U., Mustafa, K. (2010) "FT IR UV spectroscopic and DFT quantum chemical study on the molecular conformation vibrational and electronic transitions of 2 aminoterephthalic acid", Journal of Molecular Structure, 982 (1) pp. 22-27 [SCI Expanded] Link DOI   Mehmet, K., Mehmet, C., Zeliha, U., Mustafa, K. (2010) "FT IR UV spectroscopic and DFT quantum chemical study on the molecular conformation vibrational and electronic transitions of 2 aminoterephthalic acid", Journal of Molecular Structure, 982 (1) pp. 22-27 [SCI Expanded] Link DOI  
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

Link DOI   E., K., N., S., S., S., M., K. (2010) "Molecular structure anharmonic vibrational frequencies and NBO analysis of naphthalene acetic acid by density functional theory calculations", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 77 (3) pp. 612-619 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17850"> E., K., N., S., S., S., M., K. (2010) "Molecular structure anharmonic vibrational frequencies and NBO analysis of naphthalene acetic acid by density functional theory calculations", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 77 (3) pp. 612-619 [SCI Expanded] Link DOI   E., K., N., S., S., S., M., K. (2010) "Molecular structure anharmonic vibrational frequencies and NBO analysis of naphthalene acetic acid by density functional theory calculations", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 77 (3) pp. 612-619 [SCI Expanded] Link DOI  
2010 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

FT IR FT Raman NMR spectra and molecular structure investigation of 2 3 dibromo N methylmaleimide A combined experimental and theoretical study

Link DOI   Mehmet, K., Ali, Ç., Mustafa, K. (2008) "FT IR FT Raman NMR spectra and molecular structure investigation of 2 3 dibromo N methylmaleimide A combined experimental and theoretical study", Journal of Molecular Structure, 892 (1) pp. 125-131 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17851"> Mehmet, K., Ali, Ç., Mustafa, K. (2008) "FT IR FT Raman NMR spectra and molecular structure investigation of 2 3 dibromo N methylmaleimide A combined experimental and theoretical study", Journal of Molecular Structure, 892 (1) pp. 125-131 [SCI Expanded] Link DOI   Mehmet, K., Ali, Ç., Mustafa, K. (2008) "FT IR FT Raman NMR spectra and molecular structure investigation of 2 3 dibromo N methylmaleimide A combined experimental and theoretical study", Journal of Molecular Structure, 892 (1) pp. 125-131 [SCI Expanded] Link DOI  
2008 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Journal of Molecular Structure

Synthesis molecular conformation vibrational electronic transition and chemical shift assignments of 4 thiophene 3 ylmethoxy phthalonitrile a combined experimental and theoretical analysis

Link DOI   Ali, C., Faruk, Y., Busra, S., Mustafa, K., Mehmet, C., Mehmet, K. (2011) "Synthesis molecular conformation vibrational electronic transition and chemical shift assignments of 4 thiophene 3 ylmethoxy phthalonitrile a combined experimental and theoretical analysis", Structural Chemistry, 22 (1) pp. 45-56 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17852"> Ali, C., Faruk, Y., Busra, S., Mustafa, K., Mehmet, C., Mehmet, K. (2011) "Synthesis molecular conformation vibrational electronic transition and chemical shift assignments of 4 thiophene 3 ylmethoxy phthalonitrile a combined experimental and theoretical analysis", Structural Chemistry, 22 (1) pp. 45-56 [SCI Expanded] Link DOI   Ali, C., Faruk, Y., Busra, S., Mustafa, K., Mehmet, C., Mehmet, K. (2011) "Synthesis molecular conformation vibrational electronic transition and chemical shift assignments of 4 thiophene 3 ylmethoxy phthalonitrile a combined experimental and theoretical analysis", Structural Chemistry, 22 (1) pp. 45-56 [SCI Expanded] Link DOI  
2011 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Structural Chemistry

Molecular structure and vibrational spectra of 2 and 5 methylbenzimidazole molecules by density functional theory

Link DOI   Tahir, G.M., Mustafa, Ö., Mustafa, K., S., K., N., S. (2010) "Molecular structure and vibrational spectra of 2 and 5 methylbenzimidazole molecules by density functional theory", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 76 (2) pp. 107-114 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17853"> Tahir, G.M., Mustafa, Ö., Mustafa, K., S., K., N., S. (2010) "Molecular structure and vibrational spectra of 2 and 5 methylbenzimidazole molecules by density functional theory", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 76 (2) pp. 107-114 [SCI Expanded] Link DOI   Tahir, G.M., Mustafa, Ö., Mustafa, K., S., K., N., S. (2010) "Molecular structure and vibrational spectra of 2 and 5 methylbenzimidazole molecules by density functional theory", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 76 (2) pp. 107-114 [SCI Expanded] Link DOI  
2010 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Molecular structure investigation and spectroscopic studies on 2 3 difluorophenylboronic acid A combined experimental and theoretical analysis

Link DOI   Mehmet, K., Etem, K., Ahmet, A., M., A.C., Mustafa, K. (2012) "Molecular structure investigation and spectroscopic studies on 2 3 difluorophenylboronic acid A combined experimental and theoretical analysis", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 97 (0) pp. 892-908 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17854"> Mehmet, K., Etem, K., Ahmet, A., M., A.C., Mustafa, K. (2012) "Molecular structure investigation and spectroscopic studies on 2 3 difluorophenylboronic acid A combined experimental and theoretical analysis", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 97 (0) pp. 892-908 [SCI Expanded] Link DOI   Mehmet, K., Etem, K., Ahmet, A., M., A.C., Mustafa, K. (2012) "Molecular structure investigation and spectroscopic studies on 2 3 difluorophenylboronic acid A combined experimental and theoretical analysis", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 97 (0) pp. 892-908 [SCI Expanded] Link DOI  
2012 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Molecular structure vibrational spectroscopic studies and NBO analysis of the 3 5 dichlorophenylboronic acid molecule by the density functional method

Link DOI   S., A., N., S., M., K., R., S.T., M., Ö. (2010) "Molecular structure vibrational spectroscopic studies and NBO analysis of the 3 5 dichlorophenylboronic acid molecule by the density functional method", Journal of Raman Spectroscopy, 41 (10) pp. 1379-1387 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17855"> S., A., N., S., M., K., R., S.T., M., Ö. (2010) "Molecular structure vibrational spectroscopic studies and NBO analysis of the 3 5 dichlorophenylboronic acid molecule by the density functional method", Journal of Raman Spectroscopy, 41 (10) pp. 1379-1387 [SCI Expanded] Link DOI   S., A., N., S., M., K., R., S.T., M., Ö. (2010) "Molecular structure vibrational spectroscopic studies and NBO analysis of the 3 5 dichlorophenylboronic acid molecule by the density functional method", Journal of Raman Spectroscopy, 41 (10) pp. 1379-1387 [SCI Expanded] Link DOI  
2010 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Journal of Raman Spectroscopy

Molecular structure spectroscopic FTIR FTIR gas phase FT Raman first order hyperpolarizability and HOMO LUMO analysis of 4 methoxy 2 methyl benzoic acid

Link DOI   C., M., S., S., M., K., Woo, L.K., N., S. (2010) "Molecular structure spectroscopic FTIR FTIR gas phase FT Raman first order hyperpolarizability and HOMO LUMO analysis of 4 methoxy 2 methyl benzoic acid", Journal of Raman Spectroscopy, 41 (10) pp. 1369-1378 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17856"> C., M., S., S., M., K., Woo, L.K., N., S. (2010) "Molecular structure spectroscopic FTIR FTIR gas phase FT Raman first order hyperpolarizability and HOMO LUMO analysis of 4 methoxy 2 methyl benzoic acid", Journal of Raman Spectroscopy, 41 (10) pp. 1369-1378 [SCI Expanded] Link DOI   C., M., S., S., M., K., Woo, L.K., N., S. (2010) "Molecular structure spectroscopic FTIR FTIR gas phase FT Raman first order hyperpolarizability and HOMO LUMO analysis of 4 methoxy 2 methyl benzoic acid", Journal of Raman Spectroscopy, 41 (10) pp. 1369-1378 [SCI Expanded] Link DOI  
2010 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Journal of Raman Spectroscopy

FT IR FT Raman NMR spectra and DFT calculations on 4 chloro N methylaniline

Link DOI   Usha, R.A., N., S., M., K., M., C., M., K. (2010) "FT IR FT Raman NMR spectra and DFT calculations on 4 chloro N methylaniline", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 75 (5) pp. 1523-1529 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17858"> Usha, R.A., N., S., M., K., M., C., M., K. (2010) "FT IR FT Raman NMR spectra and DFT calculations on 4 chloro N methylaniline", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 75 (5) pp. 1523-1529 [SCI Expanded] Link DOI   Usha, R.A., N., S., M., K., M., C., M., K. (2010) "FT IR FT Raman NMR spectra and DFT calculations on 4 chloro N methylaniline", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 75 (5) pp. 1523-1529 [SCI Expanded] Link DOI  
2010 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy