The Experts below are selected from a list of 291 Experts worldwide ranked by ideXlab platform
Limão-Vieira Paulo - One of the best experts on this subject based on the ideXlab platform.
-
Electronic State Spectroscopy of Halothane As Studied by ab Initio Calculations, Vacuum Ultraviolet Synchrotron Radiation, and Electron Scattering Methods
Journal of Physical Chemistry A, 2015Co-Authors: Ferreira Da Silva F., Duflot Denis, Hoffmann Søren V., Jones Nykola, Rodrigues F. N., Ferreira-Rodrigues A. M., De Souza G. G. B., Mason Nicholas J, Eden S., Limão-Vieira PauloAbstract:We present the first set of ab initio calculations (vertical energies and oscillator strengths) of the valence and Rydberg transitions of the anaesthetic compound halothane (CF3CHBrCl). These results are complemented by high-resolution vacuum ultraviolet photoabsorption measurements over the wavelength range 115–310 nm (10.8–4.0 eV). The spectrum reveals several new features that were not previously reported in the literature. Spin–orbit effects have been considered in the calculations for the lowest-lying states, allowing us to explain the broad nature of the 6.1 and 7.5 eV absorption bands assigned to σ*(C–Br) ← nBr and σ*(C–Cl) ← nCl transitions. Novel absolute photoabsorption cross sections from electron Scattering data were derived in the 4.0–40.0 eV range. The measured absolute photoabsorption cross sections have been used to calculate the photolysis lifetime of halothane in the upper stratosphere (20–50 km).
Ferreira Da Silva F. - One of the best experts on this subject based on the ideXlab platform.
-
Electronic State Spectroscopy of Halothane As Studied by ab Initio Calculations, Vacuum Ultraviolet Synchrotron Radiation, and Electron Scattering Methods
Journal of Physical Chemistry A, 2015Co-Authors: Ferreira Da Silva F., Duflot Denis, Hoffmann Søren V., Jones Nykola, Rodrigues F. N., Ferreira-Rodrigues A. M., De Souza G. G. B., Mason Nicholas J, Eden S., Limão-Vieira PauloAbstract:We present the first set of ab initio calculations (vertical energies and oscillator strengths) of the valence and Rydberg transitions of the anaesthetic compound halothane (CF3CHBrCl). These results are complemented by high-resolution vacuum ultraviolet photoabsorption measurements over the wavelength range 115–310 nm (10.8–4.0 eV). The spectrum reveals several new features that were not previously reported in the literature. Spin–orbit effects have been considered in the calculations for the lowest-lying states, allowing us to explain the broad nature of the 6.1 and 7.5 eV absorption bands assigned to σ*(C–Br) ← nBr and σ*(C–Cl) ← nCl transitions. Novel absolute photoabsorption cross sections from electron Scattering data were derived in the 4.0–40.0 eV range. The measured absolute photoabsorption cross sections have been used to calculate the photolysis lifetime of halothane in the upper stratosphere (20–50 km).
Evgenii Ivanov - One of the best experts on this subject based on the ideXlab platform.
-
Comparison of micro-DSC and light Scattering Methods for studying the phase behavior of n-alkane in the oil-in-water dispersion
Journal of Thermal Analysis and Calorimetry, 2020Co-Authors: Vladimir Kuryakov, Yulia Zaripova, Mikhail Varfolomeev, Pier Giorgio De Sanctis Lucentini, Andrei Novikov, Anton Semenov, Andrey Stoporev, Pavel Gushchin, Evgenii IvanovAbstract:This article investigates the phase behavior of n -octacosane (C_28H_58) in the form of an aqueous dispersion with a particle size of about 100 nm. Samples of stable dispersions were prepared by ultrasonication without the addition of surfactants. Studies at various concentrations of n -alkane were performed by differential scanning calorimetry (DSC), powder X-ray diffraction, and light Scattering Methods. At low n -alkane concentrations, the sensitivity of DSC is not sufficient to detect the paraffin phase transitions. The light Scattering method allows determining the phase transition temperatures (melting, crystallization, rotator phases) of n -alkane even in the 10^−4 mass% dispersion.
Paulo J.m. Monteiro - One of the best experts on this subject based on the ideXlab platform.
-
the structure of alkali silicate gel by total Scattering Methods
Cement and Concrete Research, 2010Co-Authors: Chris J Benmore, Paulo J.m. MonteiroAbstract:The structure of the alkali silicate gel (ASR) collected from the galleries of Furnas Dam in Brazil was determined by a pair distribution function (PDF) analysis of high energy X-ray diffraction data. Since this method is relatively new to concrete structure analysis a detailed introduction on the PDF method is given for glassy SiO2. The bulk amorphous structure of the dam material is confirmed as no Bragg peaks are observed in the scattered intensity. The real space results show that the local structure of the amorphous material is similar to kanemite (KHSi2O5:3H2O) however the long range layer structure of the crystal is broken up in the amorphous state, so that ordering only persists of the length scale of a few polyhedra. The silicate layer structure is a much more disordered than predicted by molecular dynamics models. The X-ray results are consistent with the molecular dynamics model of Kirkpatrick et al. (2005) [1] which predicts that most of the water resides in pores within the amorphous network rather than in layers. The total Scattering data provide a rigorous basis against which other models may also be tested.
Duflot Denis - One of the best experts on this subject based on the ideXlab platform.
-
Electronic State Spectroscopy of Halothane As Studied by ab Initio Calculations, Vacuum Ultraviolet Synchrotron Radiation, and Electron Scattering Methods
Journal of Physical Chemistry A, 2015Co-Authors: Ferreira Da Silva F., Duflot Denis, Hoffmann Søren V., Jones Nykola, Rodrigues F. N., Ferreira-Rodrigues A. M., De Souza G. G. B., Mason Nicholas J, Eden S., Limão-Vieira PauloAbstract:We present the first set of ab initio calculations (vertical energies and oscillator strengths) of the valence and Rydberg transitions of the anaesthetic compound halothane (CF3CHBrCl). These results are complemented by high-resolution vacuum ultraviolet photoabsorption measurements over the wavelength range 115–310 nm (10.8–4.0 eV). The spectrum reveals several new features that were not previously reported in the literature. Spin–orbit effects have been considered in the calculations for the lowest-lying states, allowing us to explain the broad nature of the 6.1 and 7.5 eV absorption bands assigned to σ*(C–Br) ← nBr and σ*(C–Cl) ← nCl transitions. Novel absolute photoabsorption cross sections from electron Scattering data were derived in the 4.0–40.0 eV range. The measured absolute photoabsorption cross sections have been used to calculate the photolysis lifetime of halothane in the upper stratosphere (20–50 km).
