Big Chemical Encyclopedia

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

Articles Figures Tables About

Allinger’s MM force fields

HyperChem s MM-i- force field uses the latest MM2 (1991) parameters and atom types (provided directly by Dr. Alliugei) with the 1977 functional form X. H.. Allinger, 7 Am. Chern. Soc., 99, 8127 (1977),. 1,.. Allin ger and Y. H. Yuh, Qiiari tnm Ch cm istry Program... [Pg.182]

Molecules are described by a ball and spring model in force field methods, with atoms having different sizes and softness and bonds having different lengths and stiffness . Force field methods are also referred to as molecular mechanics (MM) methods. Many different force fields exist, and in this Chapter we will use Allinger s MM2 and MM3 (Molecular Mechanics versions 2 and 3) to illustrate specific details. ... [Pg.22]

See other pages where Allinger’s MM force fields is mentioned: [Pg.22]    [Pg.35]    [Pg.264]    [Pg.22]    [Pg.35]    [Pg.264]    [Pg.155]    [Pg.171]    [Pg.3316]    [Pg.182]    [Pg.233]    [Pg.279]    [Pg.151]    [Pg.46]    [Pg.182]    [Pg.1278]   
See also in sourсe #XX -- [ Pg.35 ]



SEARCH



Allinger

Allinger force field

MM force field

S fields

© 2024 chempedia.info