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Quantum mechanics Jaguar

Computational packages such as Gaussian, Jaguar and others are available for the quantum mechanical calculation of the interactions energies, but it is very intensive, and requires the advice of an expert, as the results obtained depend upon the level of theory and basis set used, and it is not always obvious as to which set of... [Pg.51]

See other pages where Quantum mechanics Jaguar is mentioned: [Pg.145]    [Pg.166]    [Pg.340]    [Pg.87]    [Pg.175]    [Pg.178]    [Pg.97]    [Pg.401]    [Pg.111]    [Pg.64]    [Pg.6]    [Pg.205]   
See also in sourсe #XX -- [ Pg.219 ]



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