Article ID Journal Published Year Pages File Type
5380146 Chemical Physics Letters 2015 18 Pages PDF
Abstract

- DFT, NEVPT2 and RCCSD(T) geometry optimizations for MnS−/0 carried out.
- Ground states and spectroscopic relevant excited states determined.
- NEVPT2 detachment energies calculated.
- Assignment for anion photoelectron spectra proposed.
- Franck-Condon simulations given.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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