Medium-range structure of vitreous SiO2 obtained through first-principles investigation of vibrational spectra
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We calculate the transverse and the longitudinal infrared absorption spectra of the hydrated silicon surface using a first-principles approach. The absorption spectra are computed for two different configurations of water molecules dissociatively chemisorb ...
The rotational spectrum of cyanic acid, HOCN, has been detected in the centimeter-wave band in a molecular beam by Fourier transform microwave spectroscopy and in the millimeter-wave band by conventional spectroscopy in a low-pressure laboratory discharge. ...
The realization of a vertically moving micromirror using electrostatic actuation in a comb drive configuration is presented. The micromirror is designed for the use in tunable mid-infrared Resonant Cavity Enhanced Detectors (RCEDs). It can be displaced mor ...
The different parts of the electromagnetic spectrum result in diverse effects upon interaction with matter: according to the wavelength, the radiation has energy appropriate for the excitation of a specific physical process. X-rays can be used as a tool to ...
We present a novel analysis of time-resolved extended x-ray absorption fine structure (EXAFS) spectra based on the fitting of the experimental transients obtained from optical pump/x-ray probe experiments. We apply it to the analysis of picosecond EXAFS da ...
We describe here a study of the spectroscopy of two peptides that we expect to be helical, Ac-Phe-(Ala)5-Lys-H+ and Ac-Phe-(Ala)10-Lys-H+, and one that we expect to be globular, Ac-Lys(H+)-Phe-(Ala)10, with the goal of identifying spectral features charact ...
The microscopic origin of the intermediate phase in two prototypical covalently bonded A(x)B(1-x) network glass forming systems, where A=Ge or Si, B=Se, and 0
Infrared absorption spectroscopy enabling direct access to vibrational fingerprints of the molecular structure is a powerful method for functional studies of bio-molecules. Although the intrinsic absorption cross-sections of IR active modes of proteins are ...
The article shows results of FT-IR and 1H NMR study for azeotrope diethyl amine–acetone. Changes in chemical shifts and vibrational frequencies for pure diethyl amine, pure acetone and their azeotrope were obtained. The unit-structure of cluster has been s ...
Polycyclic Aromatic Hydrocarbons (PAHs) are widely accepted as the carriers of the Aromatic Infrared Bands (AIBs), but an unambiguous identification of any specific interstellar PAH is still missing. For polar PAHs, pure rotational transitions can be used ...