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Extensive form

There are several excellent publications in the literature which compare force fields, their apphcation areas, and their pros and cons [1-5]. Available force field parameters are published in a comprehensive and very extensive form, e.g., within the R views in Computational Chemistry series [6, 7j. [Pg.349]

As chlorination proceeds from methyl chloride to carbon tetrachloride, the length of the C—Cl bond is decreased from 0.1786 nm in the former to 0.1755 nm in the latter (3). At ca 400°C, thermal decomposition of carbon tetrachloride occurs very slowly, whereas at 900—1300°C dissociation is extensive, forming perchloroethylene and hexachloroethane and Hberating some chlorine. Subjecting the vapor to an electric arc also forms perchloroethylene and hexachloroethane, as well as hexachlorobenzene, elementary carbon, and chlorine. [Pg.530]

Most people have seen the cartoon — a big complex diagram of some outfit s Methodology it s got all sorts of purposeful-sounding tasks, numerous feedback loops and checkpoints, extensive forms and documentation templates to fill out, matrices to put check marks against and metrics to tell you how well you are doing. Inputs to analysis at one end, code out at the other. But in the middle of all this busy activity, all arrows converge sooner or later on the box that says And Then A Miracle Happens ... [Pg.632]

The redetermined structure of AvFd (Stout et al., 1988 Stout, 1988, 1989) demonstrated that the same basic folding pattern observed in PaFd was conserved among ferredoxins containing two clusters. There are two major differences between AvFd and PaFd (1) a 3Fe 4S cluster occupies site 1 in AvFd, and (2) AvFd has a 52-residue extension at the carboxy terminus compared to PaFd. The extension forms an a helix covering the side of the sheet opposite the clusters and wraps around the part of the protein containing the 3Fe 4S cluster. [Pg.254]

This nucleation-condensation mechanism has certain characteristics. First, the nucleation site does not need to be extensively preformed in the denatured state. It may or may not be detectable in isolated peptides, but it is essential only in that it is extensively formed in the transition state. Further, it need not be formed completely in the transition state because of the onrush of cooperative stabilizing interactions, however, it may be in the process of being formed in the transition state. Second, although much of the structure is from local, contiguous residues, there are important stabilizing contributions from long-range interactions i.e., from contacts with residues that are far removed in sequence. [Pg.305]

The capsid is composed of 60 copies of three classic jelly-roU j3 barrels (VPl, VP2, and VPS), and a small VP4 on the inside surface of the capsid. The proteins vary in length, between about 230 and 300 amino acids. The corresponding proteins of different viruses are more similar to one another than are VP1-VP3 within one species (Rossmann, 1987). VPl and VPS have N-terminal extensions to the barrel that meander away to form contacts with neighboring subunits (Hogle et al, 1985 Rossmann et al, 1985). The VP2 extension forms an additional j3 ribbon on the RNA side of the capsid. Various secondary structural elements are inserted within the loops. Like SBMV, there is a helix in the CD loops of all of the capsid proteins of poliovirus, rhinovirus, and so on. In the picornavimses there is a short helix either breaking or preceding /3B. [Pg.154]

In the strictest sense, domain 2 is really a subdomain, connected to domain I by three polypeptide chains. It is really a globular extension formed by loops DE and HI of domain I coming together to form /3-sheet structures. The core of this is formed by a /3 ribbon (within the domain... [Pg.156]

I wish to call your attention to the fact that the discussions, which will be published in a rather extensive form, constitute one of the most interesting aspects of these Study Weeks. [Pg.4]

The photolytic cleavage of alkyl aryl sulfoxides has been shown to occur via initial C—S bond homolysis, in accordance with the common mechanistic assumption. Secondary and tertiary alkyl groups show high chemoselectivity for alkyl C—S cleavage. Uniquely, alkene products have been isolated, formed by disproportionation of the initial alkyl radical, with the formation of benzaldehyde and racemization of primary alkyl compounds. An investigation into the photochemical conversion of N-propylsulfobenzoic imides into amides in various solvents revealed a solvent dependence of the observed mechanism. In ethanol, sulfur dioxide extension forms a biradical which abstracts a hydrogen atom from the solvent, whereas in aromatic solvents biradical formation by a single electron transfer is implicated. The photolysis and thermolysis of l,9-bis(alkylthio)dibenzothiophenes and /7-aminophenyl disulfide have been studied. [Pg.167]

A.14.2 Water is not a structureless continuum. Water is a polar molecule with a dipole moment of 1.85 debye. Water is ideal for forming hydrogen bonds, and in bulk water these bonds are extensively formed with other water molecules... [Pg.66]

Calcite cementation in the Zia Formation has greatly reduced potential reservoir/aquifer quality. Most permeable units are extensively cemented with phreatic calcite. Many tabular units are often laterally extensive, forming significant barriers to vertical fluid flow and conceivably resulting in compartmentalization of the reservoir/aquifer. [Pg.48]

If these extensions form in all directions, as in myosin I ameba mutants, then the cell is unable to pick a new direction of movement. To sustain movement In a particular direction, a cell requires signals to coordinate events at the front of the cell with events at the back and, indeed, signals to tell the cell where its front is. In this section, we present several examples of how external signals activate cell migration and control the direction of movement. [Pg.803]

The hydrolysis of Pu is not extensive, forming the hydrolyzed species PuOH according to the reaction... [Pg.439]

Before proceeding, we note again that the equations thus far have been entirely in their extensive form. Each can be converted to the intensive form by dividing each... [Pg.331]


See other pages where Extensive form is mentioned: [Pg.15]    [Pg.622]    [Pg.36]    [Pg.23]    [Pg.200]    [Pg.79]    [Pg.199]    [Pg.701]    [Pg.1778]    [Pg.15]    [Pg.209]    [Pg.140]    [Pg.273]    [Pg.147]    [Pg.402]    [Pg.3618]    [Pg.3]    [Pg.15]    [Pg.156]    [Pg.352]    [Pg.41]    [Pg.13]    [Pg.223]    [Pg.182]    [Pg.144]    [Pg.865]    [Pg.793]    [Pg.3617]    [Pg.288]    [Pg.844]    [Pg.12]    [Pg.125]    [Pg.166]    [Pg.386]    [Pg.12]    [Pg.415]   
See also in sourсe #XX -- [ Pg.200 ]




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