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Trimethylene formal

Horsley et a/.164 have determined a reaction pathway for the geometrical isomerization of cyclopropane by a calculation and search of the full 21-dimensional hypersurface The calculations were performed using a minimal basis set of STO s in a modified SCF calculation using the restricted Hartree-Fock formalism suggested by Nesbet.165 In the region of the trimethylene diradical, a 3 x 3 configuration interaction calculation was included. [Pg.35]

S. Kato and K. Morokuma, Energy gradient in a multiconfigura-tional SCF formalism and its application to geometry optimization of trimethylene diradicals, Chem. Phys. Lett. 65 19 (1979). [Pg.261]

See other pages where Trimethylene formal is mentioned: [Pg.102]    [Pg.102]    [Pg.47]    [Pg.480]    [Pg.156]    [Pg.47]    [Pg.480]    [Pg.85]    [Pg.588]    [Pg.6]    [Pg.196]    [Pg.94]    [Pg.709]    [Pg.94]    [Pg.141]   
See also in sourсe #XX -- [ Pg.102 ]



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Trimethylene

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