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Slater-Kirkwood formula

This is summed over all probe (p)-target (t) atom pairs and is a function of the distance, rj, between the atoms in the pair, which have van der Waals radii, Rj, and R,. A = 0.5C(Rj, + R,) and C is given by the Slater-Kirkwood formula [18] and is dependent on atomic polarizability and the number of effective electrons per atom. [Pg.29]

Original author calculated on a different basis— used Slater-Kirkwood dispersion formula instead of isoelectronic compound. [Pg.215]

This is similar in spirit to the arithmetic-mean rule but with each individual r,) being weighted according to the square of its value. The well depth in this function starts with a formula proposed by Slater and Kirkwood for the Cg coefficient of the dispersion series expansion ... [Pg.229]

Both types of functions are commonly used. Several sets of a, b, c, and d, coefficients are available [1-3]. Equally good results can be obtained using Lennard-Jones-type functions alone or Buckingham-type functions alone or mixtures of Lennard-Jones and Buckingham functions [4]. The attraction coefficients in these expressions are generally but not always calculated with the formula of Slater and Kirkwood [5] ... [Pg.166]


See other pages where Slater-Kirkwood formula is mentioned: [Pg.67]    [Pg.411]    [Pg.220]    [Pg.36]    [Pg.385]    [Pg.37]    [Pg.67]    [Pg.411]    [Pg.220]    [Pg.36]    [Pg.385]    [Pg.37]    [Pg.11]    [Pg.99]   
See also in sourсe #XX -- [ Pg.29 ]




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