Browsing QF-Artigos by Author "0fe5e04d-8235-4689-8e3e-cdad08d0faec"
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Hindered rotor tunneling splittings: an application of the two-dimensional non-separable method to benzyl alcohol and two of its fluorine derivatives
Alves, Tiago Vinicius; Simón-Carballido, Luis; Rei Ornellas, Fernando; Fernández-Ramos, Antonio (Royal Society of Chemistry, 2016-02-29)In this work we present a novel application of the two-dimensional non-separable (2D-NS) method to the calculation of torsional tunneling splittings in systems with two hindered internal rotors. This method could be ...