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Journal articles
On the formation of S2O at low energies: An ab initio study
Abstract : The potential energy curves and the spin-orbit couplings for all the electronic states correlating with the lowest dissociation asymptote of S2O have been calculated by accurate ab initio approaches, including full-valence complete active space self-consistent field and internally contracted multi-reference configuration interaction. One-dimensional cuts of the three-dimensional potential energy surfaces are presented for linear and bent geometries, providing useful energetic information on the different paths of formation of S2O, starting from various fragments.
https://hal-upec-upem.archives-ouvertes.fr/hal-00712853
Contributor : Roberto Linguerri Connect in order to contact the contributor
Submitted on : Thursday, June 28, 2012 - 1:45:45 PM
Last modification on : Saturday, January 15, 2022 - 4:16:54 AM
Contributor : Roberto Linguerri Connect in order to contact the contributor
Submitted on : Thursday, June 28, 2012 - 1:45:45 PM
Last modification on : Saturday, January 15, 2022 - 4:16:54 AM