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Exploration of electronic and vibrational properties of sulfanilic acid through periodic and non-periodic DFT calculations.
J Mol Model. 2024 Apr 3;30(5):121. doi: 10.1007/s00894-024-05911-6.
J Mol Model. 2024.
PMID: 38570393
A B3LYP-D3 computational study of electronic, structural and torsional dynamic properties of mono-substituted naphthalenes: the effect of the nature and position of substituent.
Benalia A, Boukaoud A, Amrani R, Krid A.
Benalia A, et al. Among authors: boukaoud a.
J Mol Model. 2024 Feb 29;30(3):88. doi: 10.1007/s00894-024-05884-6.
J Mol Model. 2024.
PMID: 38421474
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Periodic and non-periodic DFT studies of an organic semiconductor material: Structural, electronic, optical, and vibrational properties of ninhydrin.
Benaissa M, Boukaoud A, Sebbar D, Chiba Y, Krid A.
Benaissa M, et al. Among authors: boukaoud a.
Spectrochim Acta A Mol Biomol Spectrosc. 2024 Feb 15;307:123636. doi: 10.1016/j.saa.2023.123636. Epub 2023 Nov 9.
Spectrochim Acta A Mol Biomol Spectrosc. 2024.
PMID: 37976580
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