Big Chemical Encyclopedia

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

Articles Figures Tables About

Ethane electron localization function

A pair-function calculation, where each electron pair is associated to a quasi-localized bond function built from Lowdin orthogonalized Is orbitals. This is equivalent to the treatment of ethane mentioned above 14) ... [Pg.9]


See other pages where Ethane electron localization function is mentioned: [Pg.737]    [Pg.737]    [Pg.17]    [Pg.162]    [Pg.110]    [Pg.8]    [Pg.184]    [Pg.245]    [Pg.5]   
See also in sourсe #XX -- [ Pg.17 ]




SEARCH



Electron functionalization

Electron localization

Electron localization function

Electron localization function , local

Ethane, functionalization

Function localization

Local functionals

Localized functions

Localizing electrons

© 2024 chempedia.info