Coupled cluster spectroscopic properties of the coinage metal nitrosyls, M–NO (M = Cu, Ag, Au)
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DOI: 10.1007/s00214-020-02597-w
Abstract: Ab initio near-equilibrium potential energy and dipole moment surfaces for the bent CuNO, AgNO, and AuNO molecules have been calculated under the Feller–Peterson–Dixon (FPD) composite framework at the coupled cluster level of theory including complete… read more here.
Keywords: coupled cluster; spectroscopic properties; cluster; cluster spectroscopic ... See more keywords