Results 201 to 210 of about 57,386 (255)

Vibrational spectroscopy and dissociation dynamics of cyclohexyl hydroperoxide. [PDF]

Chem Sci
Roy TK, Qian Y, Karlsson E, Rabayah R, Sojdak CA, Kozlowski MC, Karsili TNV, Lester MI.   +7 more
europepmc   +1 more source

Some of the next articles are maybe not open access.

Related searches:

Vibrational spectroscopy of maleimide

Physica B: Condensed Matter, 2004
Abstract Vibrational spectroscopy represents an important analysis tool for the characterization of different molecular systems. In the present work a model compound, maleimide, has been characterized by means of inelastic neutron scattering measurements and theoretical calculations.
CORSARO, CARMELO, S. F. PARKER
openaire   +1 more source

Vibrational Spectroscopy of Biomembranes

Annual Review of Analytical Chemistry, 2011
Vibrational spectroscopy, commonly associated with IR absorption and Raman scattering, has provided a powerful approach for investigating interactions between biomolecules that make up cellular membranes. Because the IR and Raman signals arise from the intrinsic properties of these molecules, vibrational spectroscopy probes the delicate interactions ...
Zachary D, Schultz, Ira W, Levin
openaire   +2 more sources

Vibrational spectroscopy of resveratrol

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2007
In 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, Ildikó, Mohammed-Ziegler, Hans, Mikosch, Erno, Tyihák   +3 more
openaire   +2 more sources

Simulation of Impulsive Vibrational Spectroscopy

The Journal of Physical Chemistry A, 2019
In 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, Franco P. Bonafé, Bálint Aradi, Thomas Frauenheim, Cristián G. Sánchez   +4 more
openaire   +4 more sources

Vibrational Spectroscopy

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, Julio de Paula, David Smith   +2 more
  +4 more sources

Electronic and Vibrational Spectroscopy of CsS

The Journal of Physical Chemistry A, 2018
Using 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, Sihem Azizi, Roberto Linguerri, Gilberte Chambaud, Muneerah Mogren Al-Mogren, Majdi Hochlaf   +5 more
openaire   +2 more sources

Vibrational Spectroscopy of Polymers

International Journal of Polymer Analysis and Characterization, 2011
The 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 ...
openaire   +1 more source

Vibrational spectroscopy of flavoproteins

2019
The 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, Jarrod B, French, Peter J, Tonge   +2 more
openaire   +2 more sources