Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Extended Hiickel molecular orbital method calculation procedure

Molecular orbital calculations for the parent vinyl cation, Cj H3, were first reported by Hoffmann (161), who used the extended Hiickel method, and more recently by Yonezawa and co-workers (162), who used a semiempirical SCF procedure. Both treated the problem of classical, 172 (R = H), versus bridged structures, 173, but the methods suffered from their inability to account satisfactorily for bond-length changes, and neither discussed the question of linear, 172a, versus bent, 172b, structures. [Pg.272]


See other pages where Extended Hiickel molecular orbital method calculation procedure is mentioned: [Pg.198]    [Pg.206]    [Pg.210]    [Pg.20]    [Pg.3]    [Pg.612]    [Pg.8]    [Pg.109]    [Pg.123]   
See also in sourсe #XX -- [ Pg.107 ]




SEARCH



Calculations orbital

Extended Hiickel

Extended Hiickel method

Extended Hiickel molecular orbital

Extended Hiickel molecular orbital calculations

Extended Hiickel molecular orbital method

Extended Hiickel procedures

Extended calculations

Hiickel

Hiickel Orbitals

Hiickel calculations

Hiickel calculations, extended

Hiickel method

Hiickel molecular orbital

Hiickel molecular-orbital calculation

Method procedure

Methodical procedures

Methods calculation method

Molecular calculated

Molecular calculations

Molecular orbital calculations

Molecular orbital methods

Molecular orbital methods Hiickel

Molecular orbital methods extended Hiickel method

Molecular orbitals calculating

Orbitals calculation

© 2024 chempedia.info