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CASPT2N 6-31G*//CASSCF

Energies computed at CASPT2N/6-31G //CASSCF(8,8)/6-31G, CASPT2N/cc-pVDZ//, and CASSCF(8,8)/6-31G values are within parentheses. [Pg.319]


See other pages where CASPT2N 6-31G*//CASSCF is mentioned: [Pg.310]    [Pg.311]    [Pg.853]   
See also in sourсe #XX -- [ Pg.2 , Pg.2 , Pg.175 ]




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CASPT2N/CASSCF

CASSCF

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