Big Chemical Encyclopedia

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

Articles Figures Tables About

Force field methods hyperconjugation

The adamantyl cations are typical examples of localized carbocations with strong geometric distortions as a result of hyperconjugation. The chiral C2 structure of the 2-propyl cation is confirmed impressively by the force field method. [Pg.209]

AMI Cambridge Structural Database Carbohydrate Force Fields Conformational Analysis 1 Conformational Analysis 2 Conformational Analysis 3 Continuum Solvation Crystal Structure Calculations 1 Crystal Structure Calculations 2 Cyclodextrins Force Fields MM3 Hydrogen Bonding 1 Hydrogen Bonding 2 Hydrogen Bonds Semiempirical Methods Hyperconjugation MNDO Natural Bond Orbital Methods PM3 Solvation Carbohydrates. [Pg.245]

Divide and Conquer for Semiempirical MO Methods Force Fields A Brief Introduction Force Fields A General Discussion Hyperconjugation MNDO Molecular Mechanics Conjugated Systems Monte Carlo Quantum Methods for Electronic Structure PM3 PRDDO SINDOl Parameterization and Application. [Pg.1242]


See other pages where Force field methods hyperconjugation is mentioned: [Pg.274]    [Pg.274]    [Pg.274]    [Pg.197]    [Pg.209]    [Pg.282]    [Pg.14]   
See also in sourсe #XX -- [ Pg.48 ]




SEARCH



Field method

Force method

Hyperconjugation

Hyperconjugative

© 2024 chempedia.info