Big Chemical Encyclopedia

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

Articles Figures Tables About

Delocalization degree

Aihara resonance energy delocalization degree indices... [Pg.8]

Delocalization degree indices are molecular descriptors accounting for the Jt-electron mobility in a molecule. [Pg.183]

The resonance energy RE is a theoretical quantity introduced to explain the stability of benzene and is used for predicting the electron delocalization degree of conjugated systems [Wheland, 1955 Salem, 1966 Randic, 1989 Trinajstic, 1991, 1992]. The general definition of resonance energy is... [Pg.184]

Electronic information is combined with shape and steric information to characterize molecules in charged partial surface area descriptors. Other approaches, different from those closely related to quantum-chemistry, refer to electronic distribution in molecules, such as electronic substituent constants, ehctrotopohgical state indices, topological charge indices. Reactivity indices and delocalization degree indices are also related to electronic properties of molecules. [Pg.264]

Hiickel resonance energy delocalization degree indices Hiickel s rule delocalization degree indices... [Pg.384]

Para-Delocalization Index delocalization degree indices (0 Delocalization Index)... [Pg.573]

Pauling bond number delocalization degree indices ( Krygowski bond energy)... [Pg.579]

See other pages where Delocalization degree is mentioned: [Pg.107]    [Pg.65]    [Pg.287]    [Pg.19]    [Pg.19]    [Pg.45]    [Pg.68]    [Pg.160]    [Pg.183]    [Pg.183]    [Pg.183]    [Pg.184]    [Pg.184]    [Pg.185]    [Pg.186]    [Pg.187]    [Pg.188]    [Pg.189]    [Pg.190]    [Pg.191]    [Pg.192]    [Pg.202]    [Pg.202]    [Pg.375]    [Pg.375]    [Pg.378]    [Pg.379]    [Pg.425]    [Pg.503]    [Pg.564]    [Pg.564]    [Pg.637]    [Pg.653]    [Pg.653]   
See also in sourсe #XX -- [ Pg.229 ]



SEARCH



© 2024 chempedia.info