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Generalized conductor-like screening model GCOSMO

Truong, T. N., Nguyen, U. N., and Stefanovich, E. V. (1996). Generalized conductor-like screening model (GCOSMO) for solvation An assessment of its accuracy and applicability, Int ]. Quantum Chem. Symp. 60, pp. 1615-1622. [Pg.415]

In addition to SMx and the cluster-continuum model, other continuum models have also been used to study reactions in liquids, including the polarized continuum model [133-135] (PCM), the conductor-like screening model (COSMO [136] and COSMO-RS [137,138]), the generalized COSMO [139] (GCOSMO) model, conductorlike PCM [140] (CPCM), and isodensity PCM [141] (IPCM). [Pg.352]

PCM are explicated in Table 11.1. Also listed in this table are the forms of K and R for the so-called conductor-like model, C-PCM [25]. This model is considerably simpler in that the matrix D is absent. C-PCM is identical to the generalized conductor-iike screening modei (GCOSMO) [78], and almost identical to the original COSMO [37]. (G]COSMO was introduced prior to SS(V)PE/1EF-PCM, based on ad hoc arguments and designed to achieve the correct oo limit. We... [Pg.375]


See other pages where Generalized conductor-like screening model GCOSMO is mentioned: [Pg.317]    [Pg.324]    [Pg.317]    [Pg.324]   
See also in sourсe #XX -- [ Pg.2 ]

See also in sourсe #XX -- [ Pg.2 ]




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