Spectrochimica Acta Part A: Molecular and Biomolecular Spectros
 2014
DOI: 10.1016/j.saa.2014.02.158
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Chalcogen analogues of nicotine lactam studied by NMR, FTIR, DFT and X-ray methods

Beata Jasiewicz
1
,
Karolina Malczewska-Jaskóła
2
,
Iwona Kowalczyk
3
et al.
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Cited by 6 publications
(1 citation statement)
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“…The conformationally averaged IR spectrum was simulated by summing the populationweighted spectra for the a, g, g, q-aanda, aconformers calculated using B3LYP/6-311G(3df) [50,51] wavenumbers and intensities with Lorentzian band shapes (γ= 2 cm −1 ).…”
Section: Vibrational Analysismentioning
confidence: 99%

Experimental and quantum chemical studies on the molecular structure of 3,3,3-trifluoropropane-1-sulfonyl chloride: CF3CH2CH2SO2Cl

Galván
1
,
Lestard
2
,
Tuttolomondo
3
et al. 2017
Journal of Molecular Structure
1
0
0
0
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“…The conformationally averaged IR spectrum was simulated by summing the populationweighted spectra for the a, g, g, q-aanda, aconformers calculated using B3LYP/6-311G(3df) [50,51] wavenumbers and intensities with Lorentzian band shapes (γ= 2 cm −1 ).…”
Section: Vibrational Analysismentioning
confidence: 99%

Experimental and quantum chemical studies on the molecular structure of 3,3,3-trifluoropropane-1-sulfonyl chloride: CF3CH2CH2SO2Cl

Galván
1
,
Lestard
2
,
Tuttolomondo
3
et al. 2017
Journal of Molecular Structure
1
0
0
0
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Nicotine alkaloids as antioxidant and potential protective agents against in vitro oxidative haemolysis

Malczewska-Jaskóła
1
,
Jasiewicz
2
,
Mrówczyńska
3
2016
Chemico-Biological Interactions
23
2
18
1
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Structural and functional computational analysis of nicotine analogs as potential neuroprotective compounds in Parkinson disease

Becerra
1
,
Rojas-Rodríguez
2
,
Ramírez
3
et al. 2020
Computational Biology and Chemistry
2
0
2
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