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Furans, functional groups among

The optimized potentials for liquid simulations (OPLS) force field can be divided into the OPLS-UA (united-atom) [96, 110-112] and the OPLS-AA (all-atom) [57, 67, 92, 103, 135-139] versions. Among the two, the OPLS-UA force field is predominantly used for engineering applications, mainly because it is computatirMi-ally cheaper than the all-atom version. The OPLS-UA force field is available for hydrocarbons [96], amides [110], peptides [110], alcohols [111], or proteins [112]. The OPLS-AA force field was parameterized for small organic molecules and is intended for biochemical applications. The parameters of the OPLS-AA force field are available for a broader range of functional groups and molecules. Thus, besides hydrocarbons [103] and alcohols [57], parameters can be found for thiols [57], sulfides [57], ketones [57], amides [57], amines [139], pyrrole [138], furan [138], diazoles [138], oxazoles [138], proteins [67], and carbohydrates [92], among others. [Pg.219]

The present review deals with polymerization systems where the furan ring is present in the monomer(s) either as the reactive entity or as a side group to the function responsible for the growth. It covers, therefore, a wide variety of situations, many of them not yet fully understood. In fact, as will become apparent later, there is still a great deal of controversy about the interpretation of experimental results obtained with most of these systems and sometimes even disagreement among authors as to the data obtained. Particular emphasis has therefore been placed in this review on a critical reinterpretation of previous work in view of the recent experience gathered by... [Pg.49]


See other pages where Furans, functional groups among is mentioned: [Pg.1009]    [Pg.158]    [Pg.780]    [Pg.1066]    [Pg.284]    [Pg.213]    [Pg.19]    [Pg.273]    [Pg.318]    [Pg.15]    [Pg.606]    [Pg.406]    [Pg.1217]    [Pg.458]    [Pg.567]    [Pg.279]    [Pg.313]    [Pg.17]    [Pg.82]    [Pg.317]   
See also in sourсe #XX -- [ Pg.241 ]




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