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Ghalla, Houcine, Rekik, Najeh, Michta, Anna, Oujia, Brahim, Flakus, Henryk T. (2010) Theoretical modeling of infrared spectra of the hydrogen and deuterium bond in aspirin crystal. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 75 (1) 37-47 doi:10.1016/j.saa.2009.09.029

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Reference TypeJournal (article/letter/editorial)
TitleTheoretical modeling of infrared spectra of the hydrogen and deuterium bond in aspirin crystal
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
AuthorsGhalla, HoucineAuthor
Rekik, NajehAuthor
Michta, AnnaAuthor
Oujia, BrahimAuthor
Flakus, Henryk T.Author
Year2010 (January)Volume75
Issue1
PublisherElsevier BV
DOIdoi:10.1016/j.saa.2009.09.029Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID16390888Long-form Identifiermindat:1:5:16390888:9
GUID0
Full ReferenceGhalla, Houcine, Rekik, Najeh, Michta, Anna, Oujia, Brahim, Flakus, Henryk T. (2010) Theoretical modeling of infrared spectra of the hydrogen and deuterium bond in aspirin crystal. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 75 (1) 37-47 doi:10.1016/j.saa.2009.09.029
Plain TextGhalla, Houcine, Rekik, Najeh, Michta, Anna, Oujia, Brahim, Flakus, Henryk T. (2010) Theoretical modeling of infrared spectra of the hydrogen and deuterium bond in aspirin crystal. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 75 (1) 37-47 doi:10.1016/j.saa.2009.09.029
In(2010, January) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Vol. 75 (1) Elsevier BV

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Flakus, Henryk T., Hachuła, Barbara, Hołaj-Krzak, Jakub T., Al-Agel, Faisal A., Rekik, Najeh (2017) “Long-distance” H/D isotopic self-organization phenomena in scope of the infrared spectra of hydrogen-bonded terephthalic and phthalic acid crystals. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 173. 65-74 doi:10.1016/j.saa.2016.08.051
Rekik, Najeh, Flakus, Henryk T., Hachula, Barbara, Salman, Saed, Alshoaibi, Adil, Farooq, Umer (2020) How far the vibrational exciton interactions are responsible for the generation of the infrared spectra of oxindole crystals?. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 237. 118302 doi:10.1016/j.saa.2020.118302
Issaoui, Noureddine, Ghalla, Houcine, Muthu, S., Flakus, H.T., Oujia, Brahim (2015) Molecular structure, vibrational spectra, AIM, HOMO–LUMO, NBO, UV, first order hyperpolarizability, analysis of 3-thiophenecarboxylic acid monomer and dimer by Hartree–Fock and density functional theory. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 136. 1227-1242 doi:10.1016/j.saa.2014.10.008
Flakus, Henryk T., Śmiszek-Lindert, Wioleta, Hachuła, Barbara, Michta, Anna (2012) H/D isotopic recognition mechanism in hydrogen-bonded crystals of 3-methylacetanilide and 4-methylacetanilide. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 97. 263-273 doi:10.1016/j.saa.2012.06.010
Ghalla, Houcine, Issaoui, Noureddine, Castillo, María Victoria, Brandán, Silvia Antonia, Flakus, Henryk T. (2014) A complete assignment of the vibrational spectra of 2-furoic acid based on the structures of the more stable monomer and dimer. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 121. 623-631 doi:10.1016/j.saa.2013.11.001
Rekik, Najeh (2025) Theoretical elucidation of the IR spectra of 4-bromo-3, 5-dimethylpyrazole crystals and their deuterium-bonded analogues: Multi-objective analysis from a quantum modeling perspective. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 341. doi:10.1016/j.saa.2025.126328
Flakus, Henryk T, Chełmecki, Michal (2002) Infrared spectra of the hydrogen bond in benzoic acid crystals: temperature and polarization effects. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 58 (1) 179-196 doi:10.1016/s1386-1425(01)00525-x
Flakus, Henryk T., Hachuła, Barbara, Hołaj-Krzak, Jakub T. (2015) Long-distance inter-hydrogen bond coupling effects in the polarized IR spectra of succinic acid crystals. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 142. 126-134 doi:10.1016/j.saa.2015.01.074
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Flakus, Henryk T, Miros, Artur (2001) Infrared spectra of the hydrogen bond in pimelic acid crystals: polarization and temperature effects. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 57 (12) 2391-2401 doi:10.1016/s1386-1425(01)00404-8
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