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30 Containment systems Cosmos

The COSMO method is also interesting as the basis of a very successful COSMO-RS method, which extends the treatment to solvents other than water [27,28]. The COSMO method is very popular in quantum chemical computations of solvation effects. For example, 29 papers using COSMO calculations were published in 2001. However, we are not aware of its use together with MM force fields. Compared with the BE method, COSMO introduces one more simplification, that of Eq. (22). On the other hand, the matrix A in Eq. (21) is positively defined [25], which makes solution of the system of linear equations simpler and faster. Also, because both A and B matrices contain only electrostatic potential terms, their computation in quantum chemistry is easier than calculation of the electric field terms in Eq. (12). Another potential benefit is that the long-range electrostatic potential contribution is easier to expand into multipoles than the electric field needed in BE methods, which may benefit linear-scaling approaches. [Pg.266]

A first, rather obvious, property of energy is to be contained in something else, which is called a system. A system is a part of matter or vacuum, more generally a piece of universe, which eventually can be the universe itself Space-time is another constituent of the cosmos that contains all systems, enabling conversions and distributions of energy in a system or between systems. [Pg.12]

Cosmos Contains space-time, systems, and energy. [Pg.27]


See other pages where 30 Containment systems Cosmos is mentioned: [Pg.42]    [Pg.351]    [Pg.16]    [Pg.85]    [Pg.304]    [Pg.563]    [Pg.168]    [Pg.317]    [Pg.79]    [Pg.90]    [Pg.47]    [Pg.287]    [Pg.24]    [Pg.355]    [Pg.19]    [Pg.114]    [Pg.206]   
See also in sourсe #XX -- [ Pg.238 ]




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COSMO

Containment system

Cosmos

System containing

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