Electronic State Spectroscopy of Halothane As Studied by ab Initio Calculations, Vacuum Ultraviolet Synchrotron Radiation, and Electron Scattering Methods

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 wavelen...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2015-08, Vol.119 (31), p.8503-8511
Hauptverfasser:	da Silva, F. Ferreira, Duflot, D, Hoffmann, S. V, Jones, N. C, Rodrigues, F. N, Ferreira-Rodrigues, A. M, de Souza, G. G. B, Mason, N. J, Eden, S, Limão-Vieira, P
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical Physics Cross sections Electron scattering Electrons Halothane - chemistry Mathematical analysis Oscillator strengths Photoabsorption Photoelectron Spectroscopy Physics Quantum Theory Spectroscopy Synchrotron radiation Synchrotrons Ultraviolet Ultraviolet Rays Vacuum
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