img
img
Toplam 23011 kayıt

The spectroscopic FT IR FT Raman dispersive Raman and NMR study of ethyl 6 chloronicotinate molecule by combined density functional theory

Karabacak, M., ÇALIŞIR-SİVRİ, Z., KURT, M., Köse, E., Ataç, A. (2016) "The spectroscopic FT IR FT Raman dispersive Raman and NMR study of ethyl 6 chloronicotinate molecule by combined density functional theory", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 153 (0) pp. 754-770 [SCI Expanded]   Karabacak, M., ÇALIŞIR-SİVRİ, Z., KURT, M., Köse, E., Ataç, A. (2016) "The spectroscopic FT IR FT Raman dispersive Raman and NMR study of ethyl 6 chloronicotinate molecule by combined density functional theory", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 153 (0) pp. 754-770 [SCI Expanded]  
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

Link DOI   Çınar, M., Yıldız, N., Karabacak, M., KURT, M. (2013) "Determination of structural spectrometric and nonlinear optical features of 2 4 hydroxyphenylazo benzoic acid by experimental techniques and quantum chemical calculations", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 105 (0) pp. 80-87 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17797"> Çınar, M., Yıldız, N., Karabacak, M., KURT, M. (2013) "Determination of structural spectrometric and nonlinear optical features of 2 4 hydroxyphenylazo benzoic acid by experimental techniques and quantum chemical calculations", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 105 (0) pp. 80-87 [SCI Expanded] Link DOI   Çınar, M., Yıldız, N., Karabacak, M., KURT, M. (2013) "Determination of structural spectrometric and nonlinear optical features of 2 4 hydroxyphenylazo benzoic acid by experimental techniques and quantum chemical calculations", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 105 (0) pp. 80-87 [SCI Expanded] Link DOI  
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

Havare, A.K., Can, M., Demiç, Ş., Tozlu, C., Özbek, C., Yılmaz, M., Kuş, M., Okur, S., KURT, M., Demirak, K. (2016) "Charge transfer through amino groups small molecules interface improving the performance of electroluminescent devices", Optical Materials, (0) [SCI Expanded]   Havare, A.K., Can, M., Demiç, Ş., Tozlu, C., Özbek, C., Yılmaz, M., Kuş, M., Okur, S., KURT, M., Demirak, K. (2016) "Charge transfer through amino groups small molecules interface improving the performance of electroluminescent devices", Optical Materials, (0) [SCI Expanded]  
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

Link DOI   Mohamed, A.A., Karabacak, M., KURT, M., A, A.K. (2011) "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", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 82 (1) pp. 444-455 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17799"> Mohamed, A.A., Karabacak, M., KURT, M., A, A.K. (2011) "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", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 82 (1) pp. 444-455 [SCI Expanded] Link DOI   Mohamed, A.A., Karabacak, M., KURT, M., A, A.K. (2011) "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", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 82 (1) pp. 444-455 [SCI Expanded] Link DOI  
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

Link DOI   Karabacak, M., Çınar, Z., KURT, M., Sa, S., Namedevan, S. (2012) "FT IR FT Raman NMR and UV vis spectra vibrational assignments and DFT calculations of 4 butyl benzoic acid", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 85 (1) pp. 179-189 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17800"> Karabacak, M., Çınar, Z., KURT, M., Sa, S., Namedevan, S. (2012) "FT IR FT Raman NMR and UV vis spectra vibrational assignments and DFT calculations of 4 butyl benzoic acid", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 85 (1) pp. 179-189 [SCI Expanded] Link DOI   Karabacak, M., Çınar, Z., KURT, M., Sa, S., Namedevan, S. (2012) "FT IR FT Raman NMR and UV vis spectra vibrational assignments and DFT calculations of 4 butyl benzoic acid", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 85 (1) pp. 179-189 [SCI Expanded] Link DOI  
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

Link DOI   Karabacak, M., KURT, M. (2009) "The spectroscopic FT IR and FT Raman and theoretical studies of 5 bromo salicylic acid", Journal of Molecular Structure, 919 (1) pp. 215-222 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17801"> Karabacak, M., KURT, M. (2009) "The spectroscopic FT IR and FT Raman and theoretical studies of 5 bromo salicylic acid", Journal of Molecular Structure, 919 (1) pp. 215-222 [SCI Expanded] Link DOI   Karabacak, M., KURT, M. (2009) "The spectroscopic FT IR and FT Raman and theoretical studies of 5 bromo salicylic acid", Journal of Molecular Structure, 919 (1) pp. 215-222 [SCI Expanded] Link DOI  
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

Link DOI   Karabacak, M., Karagöz, D., KURT, M. (2008) "Experimental FT IR and FT Raman spectra and theoretical ab initio HF DFT study of 2 chloro 5 methylaniline", Journal of Molecular Structure, 892 (1) pp. 25-31 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17802"> Karabacak, M., Karagöz, D., KURT, M. (2008) "Experimental FT IR and FT Raman spectra and theoretical ab initio HF DFT study of 2 chloro 5 methylaniline", Journal of Molecular Structure, 892 (1) pp. 25-31 [SCI Expanded] Link DOI   Karabacak, M., Karagöz, D., KURT, M. (2008) "Experimental FT IR and FT Raman spectra and theoretical ab initio HF DFT study of 2 chloro 5 methylaniline", Journal of Molecular Structure, 892 (1) pp. 25-31 [SCI Expanded] Link DOI  
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

Link DOI   Karabacak, M., Köse, E., KURT, M. (2010) "FT Raman FT IR spectra and DFT calculations on monomeric and dimeric structures of 5 fluoro and 5 chloro salicylic acid", Journal of Raman Spectroscopy, 41 (9) pp. 1085-1097 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17803"> Karabacak, M., Köse, E., KURT, M. (2010) "FT Raman FT IR spectra and DFT calculations on monomeric and dimeric structures of 5 fluoro and 5 chloro salicylic acid", Journal of Raman Spectroscopy, 41 (9) pp. 1085-1097 [SCI Expanded] Link DOI   Karabacak, M., Köse, E., KURT, M. (2010) "FT Raman FT IR spectra and DFT calculations on monomeric and dimeric structures of 5 fluoro and 5 chloro salicylic acid", Journal of Raman Spectroscopy, 41 (9) pp. 1085-1097 [SCI Expanded] Link DOI  
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

Link DOI   Karabacak, M., KURT, M., Çınar, M., Çoruh, A. (2009) "Experimental UV NMR IR and Raman and theoretical spectroscopic properties of 2 chloro 6 methylaniline", Molecular Physics, 107 (3) pp. 253-264 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17805"> Karabacak, M., KURT, M., Çınar, M., Çoruh, A. (2009) "Experimental UV NMR IR and Raman and theoretical spectroscopic properties of 2 chloro 6 methylaniline", Molecular Physics, 107 (3) pp. 253-264 [SCI Expanded] Link DOI   Karabacak, M., KURT, M., Çınar, M., Çoruh, A. (2009) "Experimental UV NMR IR and Raman and theoretical spectroscopic properties of 2 chloro 6 methylaniline", Molecular Physics, 107 (3) pp. 253-264 [SCI Expanded] Link DOI  
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

Link DOI   KURT, M., SERTBAKAN, T.R., ÖZDURAN, M. (2008) "An experimental and theoretical study of molecular structure and vibrational spectra of 3 and 4 pyridineboronic acid molecules by density functional theory calculations", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 70 (3) pp. 664-673 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17806"> KURT, M., SERTBAKAN, T.R., ÖZDURAN, M. (2008) "An experimental and theoretical study of molecular structure and vibrational spectra of 3 and 4 pyridineboronic acid molecules by density functional theory calculations", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 70 (3) pp. 664-673 [SCI Expanded] Link DOI   KURT, M., SERTBAKAN, T.R., ÖZDURAN, M. (2008) "An experimental and theoretical study of molecular structure and vibrational spectra of 3 and 4 pyridineboronic acid molecules by density functional theory calculations", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 70 (3) pp. 664-673 [SCI Expanded] Link DOI  
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

Link DOI   Karabacak, M., KURT, M. (2008) "Comparison of experimental and density functional study on the molecular structure infrared and Raman spectra and vibrational assignments of 6 chloronicotinic acid", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 71 (3) pp. 876-883 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17807"> Karabacak, M., KURT, M. (2008) "Comparison of experimental and density functional study on the molecular structure infrared and Raman spectra and vibrational assignments of 6 chloronicotinic acid", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 71 (3) pp. 876-883 [SCI Expanded] Link DOI   Karabacak, M., KURT, M. (2008) "Comparison of experimental and density functional study on the molecular structure infrared and Raman spectra and vibrational assignments of 6 chloronicotinic acid", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 71 (3) pp. 876-883 [SCI Expanded] Link DOI  
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

Link DOI   Karabacak, M., Çınar, M., KURT, M. (2008) "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", Journal of Molecular Structure, 885 (1) pp. 28-35 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17809"> Karabacak, M., Çınar, M., KURT, M. (2008) "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", Journal of Molecular Structure, 885 (1) pp. 28-35 [SCI Expanded] Link DOI   Karabacak, M., Çınar, M., KURT, M. (2008) "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", Journal of Molecular Structure, 885 (1) pp. 28-35 [SCI Expanded] Link DOI  
2008 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

Link DOI   Karabacak, M., KURT, M., Çınar, M., Su, A., Su, S., Namadevan, S. (2012) "The spectroscopic FT IR FT Raman UV and first order hyperpolarizability HOMO and LUMO analysis of 3 aminobenzophenone by density functional method", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 92 (0) pp. 365-376 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17811"> Karabacak, M., KURT, M., Çınar, M., Su, A., Su, S., Namadevan, S. (2012) "The spectroscopic FT IR FT Raman UV and first order hyperpolarizability HOMO and LUMO analysis of 3 aminobenzophenone by density functional method", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 92 (0) pp. 365-376 [SCI Expanded] Link DOI   Karabacak, M., KURT, M., Çınar, M., Su, A., Su, S., Namadevan, S. (2012) "The spectroscopic FT IR FT Raman UV and first order hyperpolarizability HOMO and LUMO analysis of 3 aminobenzophenone by density functional method", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 92 (0) pp. 365-376 [SCI Expanded] Link DOI  
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

Link DOI   Kart, H.H., Kart, S.Ö., Karakuş, M., KURT, M. (2014) "Ab initio DFT calculations of butyl ammonium salt of O O dibornyl dithiophosphate", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 129 (0) pp. 421-428 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17813"> Kart, H.H., Kart, S.Ö., Karakuş, M., KURT, M. (2014) "Ab initio DFT calculations of butyl ammonium salt of O O dibornyl dithiophosphate", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 129 (0) pp. 421-428 [SCI Expanded] Link DOI   Kart, H.H., Kart, S.Ö., Karakuş, M., KURT, M. (2014) "Ab initio DFT calculations of butyl ammonium salt of O O dibornyl dithiophosphate", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 129 (0) pp. 421-428 [SCI Expanded] Link DOI  
2014 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

X ray FT Raman FT IR spectra and ab initio HF DFT calculations of 2 5 methylisoxazol 3 yl amino 2 oxo ethyl methacrylate

Link DOI   Karabacak, M., Şahin, E., Çınar, M., Erol, İ., KURT, M. (2008) "X ray FT Raman FT IR spectra and ab initio HF DFT calculations of 2 5 methylisoxazol 3 yl amino 2 oxo ethyl methacrylate", Journal of Molecular Structure, 886 (1) pp. 148-157 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17814"> Karabacak, M., Şahin, E., Çınar, M., Erol, İ., KURT, M. (2008) "X ray FT Raman FT IR spectra and ab initio HF DFT calculations of 2 5 methylisoxazol 3 yl amino 2 oxo ethyl methacrylate", Journal of Molecular Structure, 886 (1) pp. 148-157 [SCI Expanded] Link DOI   Karabacak, M., Şahin, E., Çınar, M., Erol, İ., KURT, M. (2008) "X ray FT Raman FT IR spectra and ab initio HF DFT calculations of 2 5 methylisoxazol 3 yl amino 2 oxo ethyl methacrylate", Journal of Molecular Structure, 886 (1) pp. 148-157 [SCI Expanded] Link DOI  
2008 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Journal of Molecular Structure

Vibrational spectra UV and NMR first order hyperpolarizability and HOMO LUMO analysis of 2 amino 4 chloro 6 methylpyrimidine

Link DOI   Ta, J., Namadevan, S., Karabacak, M., Çınar, M., KURT, M. (2012) "Vibrational spectra UV and NMR first order hyperpolarizability and HOMO LUMO analysis of 2 amino 4 chloro 6 methylpyrimidine", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 97 (0) pp. 811-824 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17815"> Ta, J., Namadevan, S., Karabacak, M., Çınar, M., KURT, M. (2012) "Vibrational spectra UV and NMR first order hyperpolarizability and HOMO LUMO analysis of 2 amino 4 chloro 6 methylpyrimidine", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 97 (0) pp. 811-824 [SCI Expanded] Link DOI   Ta, J., Namadevan, S., Karabacak, M., Çınar, M., KURT, M. (2012) "Vibrational spectra UV and NMR first order hyperpolarizability and HOMO LUMO analysis of 2 amino 4 chloro 6 methylpyrimidine", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 97 (0) pp. 811-824 [SCI Expanded] Link DOI  
2012 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Effect of Fe doping on the CO gas sensing of functional calixarene molecules measured with quartz crystal microbalance technique

Link DOI   Özbek, C., Okur, S., Mermer, Ö., KURT, M., Sayın, S., Yılmaz, M. (2015) "Effect of Fe doping on the CO gas sensing of functional calixarene molecules measured with quartz crystal microbalance technique", Sensors and Actuators B: Chemical, 215 (0) pp. 464-470 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17817"> Özbek, C., Okur, S., Mermer, Ö., KURT, M., Sayın, S., Yılmaz, M. (2015) "Effect of Fe doping on the CO gas sensing of functional calixarene molecules measured with quartz crystal microbalance technique", Sensors and Actuators B: Chemical, 215 (0) pp. 464-470 [SCI Expanded] Link DOI   Özbek, C., Okur, S., Mermer, Ö., KURT, M., Sayın, S., Yılmaz, M. (2015) "Effect of Fe doping on the CO gas sensing of functional calixarene molecules measured with quartz crystal microbalance technique", Sensors and Actuators B: Chemical, 215 (0) pp. 464-470 [SCI Expanded] Link DOI  
2015 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Sensors and Actuators B: Chemical

DFT FT Raman FT IR and NMR studies of 2 fluorophenylboronic acid

Link DOI   Erdoğdu, Y., Güllüoğlu, M.T., KURT, M. (2009) "DFT FT Raman FT IR and NMR studies of 2 fluorophenylboronic acid", Journal of Raman Spectroscopy, 40 (11) pp. 1615-1623 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17818"> Erdoğdu, Y., Güllüoğlu, M.T., KURT, M. (2009) "DFT FT Raman FT IR and NMR studies of 2 fluorophenylboronic acid", Journal of Raman Spectroscopy, 40 (11) pp. 1615-1623 [SCI Expanded] Link DOI   Erdoğdu, Y., Güllüoğlu, M.T., KURT, M. (2009) "DFT FT Raman FT IR and NMR studies of 2 fluorophenylboronic acid", Journal of Raman Spectroscopy, 40 (11) pp. 1615-1623 [SCI Expanded] Link DOI  
2009 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Journal of Raman Spectroscopy

Molecular structure vibrational spectroscopic first order hyperpolarizability and HOMO LUMO studies of 2 aminobenzimidazole

Link DOI   Sa, S., Karabacak, M., KURT, M., Çınar, M., Sundaraganesan, N. (2011) "Molecular structure vibrational spectroscopic first order hyperpolarizability and HOMO LUMO studies of 2 aminobenzimidazole", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 84 (1) pp. 184-195 [SCI Expanded] Link DOI  " data-bs-content-id="YazarBilgi-17819"> Sa, S., Karabacak, M., KURT, M., Çınar, M., Sundaraganesan, N. (2011) "Molecular structure vibrational spectroscopic first order hyperpolarizability and HOMO LUMO studies of 2 aminobenzimidazole", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 84 (1) pp. 184-195 [SCI Expanded] Link DOI   Sa, S., Karabacak, M., KURT, M., Çınar, M., Sundaraganesan, N. (2011) "Molecular structure vibrational spectroscopic first order hyperpolarizability and HOMO LUMO studies of 2 aminobenzimidazole", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 84 (1) pp. 184-195 [SCI Expanded] Link DOI  
2011 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy