Big Chemical Encyclopedia

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

Articles Figures Tables About

Free energy perturbation slow growth

The primary methods for calculating free energies—free energy perturbation (FEP), thermodynamic integration (TI), and slow growth (SG)—have been extensively described in the literature. -s Since the FEP method is used in most of the calculations cited in this review, the theoretical basis of the methodology is described in this section. [Pg.219]

DCE = 1,2-dichloroethane FEP = free energy perturbation pmf = potential of mean force QM = quantum mechanics SG = slow growth THF = tetrahydrofuran TI = thermodynamic integration. [Pg.1061]


See other pages where Free energy perturbation slow growth is mentioned: [Pg.195]    [Pg.159]    [Pg.159]    [Pg.764]    [Pg.218]    [Pg.515]    [Pg.403]    [Pg.103]    [Pg.6]    [Pg.99]    [Pg.99]    [Pg.515]    [Pg.564]    [Pg.236]    [Pg.639]    [Pg.1079]   
See also in sourсe #XX -- [ Pg.2 , Pg.1040 ]




SEARCH



Free energy perturbation

Perturbation energy

Perturbed energy

Slow-growth

© 2024 chempedia.info