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N-p function

The basis sets employed in the present work contained 2N s-type functions and N p- functions. The, so-called regularized , coefficients a , bg, ag, bg, Up, bp, flp, bp used in eqns. (7) and (8) to generate the parameters am and Pg g for these even-tempered basis sets were taken from Schmidt and Ruedenberg[65] for each atom considered. [Pg.291]

Shah, N. P, Functional cultures and health benefits. International Dairy Journal (2007) 17, 1262-1277. [Pg.793]

IIG" Triple-zeta, split-valence basis set, comprising three sets of AOs for each valence shell. The asterisks indicate one set of polarization functions on each atom (d functions on C, O, N,. . . , p functions on H, He). [Pg.87]




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P functionality

P-function

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