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Boundary based exchange symmetry theory

In this section we will discuss two constrained QM/MM methods the Flexible Inner Region Ensemble Separator (FIRES) method, [41] and the recent Boundary based on Exchange Symmetry Theory (BEST) method [42]. [Pg.56]

Boundary Based on Exchange Symmetry Theory (BEST)... [Pg.58]

BEST Boundary-based-on-exchange-symmetry-theory... [Pg.93]

Shiga M, Masia M (2013) Boundary based on exchange symmetry theory for multilevel simulations. 1. Basic theory. J Chem Phys 139 044120/1-8... [Pg.112]

See other pages where Boundary based exchange symmetry theory is mentioned: [Pg.95]    [Pg.103]    [Pg.51]    [Pg.51]   


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