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Vibrational spectroscopy of resveratrol
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2007In this article the authors deal with the experimental and theoretical interpretation of the vibrational spectra of trans-resveratrol (3,5,4'-trihydroxy-trans-stilbene) of diverse beneficial biological activity. Infrared and Raman spectra of the compound were recorded; density functional calculations were carried out resulting in the optimized geometry
Ferenc, Billes +3 more
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Simulation of Impulsive Vibrational Spectroscopy
The Journal of Physical Chemistry A, 2019In the present work we applied a fully atomistic electron-nuclear real-time propagation protocol to compute the impulsive vibrational spectroscopy of the five DNA/RNA nucleobases in order to study the very first steps (subpicosecond) of their energy distribution after UV excitation.
Federico J. Hernández +4 more
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2016
This chapter highlights expressions for the vibrational energy levels of diatomic molecules that are first established by treating the molecules as harmonic oscillators and are then refined by deviations from harmonic motion. It examines how the vibrational spectra of gaseous samples show features that arise from the rotational transitions that ...
Peter Atkins +2 more
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This chapter highlights expressions for the vibrational energy levels of diatomic molecules that are first established by treating the molecules as harmonic oscillators and are then refined by deviations from harmonic motion. It examines how the vibrational spectra of gaseous samples show features that arise from the rotational transitions that ...
Peter Atkins +2 more
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, 2021 Vibrational spectroscopy is concerned with the study of the vibrational states of a molecule and the radiative transitions between them. The vibrational states of a molecule are characterized by discrete energies that are related to the molecular ...
Marcelino Agúndez, Agúndez, Marcelino
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Electronic and Vibrational Spectroscopy of CsS
The Journal of Physical Chemistry A, 2018Using multi configurational ab initio methodologies, we compute the potential energy curves (PECs) of the lowest electronic states of the diatomic CsS. These computations are performed using internally contracted multireference interaction configuration including Davidson correction (MRCI+Q) with and without considering spin-orbit effects.
Karim Elhadj Merabti +5 more
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Vibrational Spectroscopy of Polymers
International Journal of Polymer Analysis and Characterization, 2011The possibilities of applications of vibrational spectroscopy techniques in the analysis and characterization of polymers are reviewed. The basic principles of the methods of Raman, mid-infrared, and near-infrared spectroscopies are briefly explained. Important aspects concerning qualitative and quantitative analysis and data evaluation are discussed ...
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Vibrational spectroscopy of flavoproteins
2019The flavin cofactor performs many functions in the cell based on the ability of the isoalloxazine ring to undergo one- or two-electron reduction and form covalent adducts with reactants such as amino acids. In addition, the strong visible absorption of the cofactor is also the basis for flavin-dependent photoreceptors.
James N, Iuliano +2 more
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2023
Vibrational spectroscopy is useful for getting information on intermolecular interactions and/or mutual molecular configurations in condensed phases or in clusters of molecules. Metal ions can perturb the vibrations of the ligands or solvents, and the bands arising directly from intermolecular vibrational modes, such as the metal–ligand or metal ...
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Vibrational spectroscopy is useful for getting information on intermolecular interactions and/or mutual molecular configurations in condensed phases or in clusters of molecules. Metal ions can perturb the vibrations of the ligands or solvents, and the bands arising directly from intermolecular vibrational modes, such as the metal–ligand or metal ...
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Characterization of Pollen by Vibrational Spectroscopy
Applied Spectroscopy, 2010Classification, discrimination, and biochemical assignment of vibrational spectra of pollen samples belonging to 43 different species of the order Pinales has been made using three different vibrational techniques. The comparative study of transmission (KBr pellet) and attenuated total reflection (ATR) Fourier transform infrared (FT-IR) and FT-Raman ...
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Vibrational Spectroscopy with Neutrons
1997Several neutron techniques are being used to study catalytic systems [I]. We will limit ourselves here to inelastic neutron scattering (INS) which is a method of great potential interest to study vibrational modes of catalysts and of adsorbed molecules.
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