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Theoretical Study of the Electronic Spectrum of Disulfur Monoxide
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Carlos J. Cobos
Veröffentlicht/Copyright:
2. Juni 2014
The near ultraviolet-visible absorption spectrum of disulfur monoxide ( S2O) has been theoretically studied by using the time-dependent density functional theory (TD-DFT) and the equation of motion coupled-cluster singles and doubles approach (EOM-CCSD) combined with the AUG-cc-PVQZ basis set. From this, analytical expressions for the absorption coefficient over the 250 - 340 nm range are reported for the first time. The computed molecular structure and the vibrational frequencies for the ground and third electronically excited state S2O (C 1Aʹ), responsible of the observed spectrum, are compared with available data.
Received: 2013-10-29
Revised: 2014-2-5
Published Online: 2014-6-2
Published in Print: 2014-6-1
© 1946 – 2014: Verlag der Zeitschrift für Naturforschung
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Artikel in diesem Heft
- Invariance, Conservation Laws, and Exact Solutions of the Nonlinear Cylindrical Fin Equation
- Influence of Wall Properties on the Peristaltic Flow of a Nanofluid in View of the Exact Solutions: Comparisons with Homotopy Analysis Method
- Analyses of S-Box in Image Encryption Applications Based on Fuzzy Decision Making Criterion
- Theoretical Study of the Electronic Spectrum of Disulfur Monoxide
- The Gravitational Origin of the Higgs Boson Mass
- Optimal Campaign Strategies in Fractional-Order Smoking Dynamics
- First Exact Solutions for Flows of Rate Type Fluids in a Circular Duct that Applies a Constant Couple to the Fluid
- Multi-Soliton Solutions and Interaction for a Generalized Variable- Coefficient Calogero–Bogoyavlenskii–Schiff Equation
- Stego Optical Encryption Based on Chaotic Baker’s Map Transformation
- A Systematic Investigation on Magnetism and Phase Stability of Cobalt
- A Comparative Study Between two Explicit and Minimal Strategies for the Case of Magnetohydrodynamical Falkner–Skan Flow over a Permeable Wall
- Regarding ‘Information Preservation and Weather Forecasting for Black Holes’ by S. W. Hawking
