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MP2 perturbation calculation

Cf. Appendix S available at bocJcsite.elsevier.com/978-0-444-59436-5 on p. el43. The charges are calculated using the Hartiee-Fock method that precedes the MP2 perturbational calculation. [Pg.864]

See other pages where MP2 perturbation calculation is mentioned: [Pg.101]    [Pg.99]    [Pg.129]   
See also in sourсe #XX -- [ Pg.99 ]



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