ORD

Artacho E, Sanchez-Portal D, Orde]6on P, Garcia A and Soler J M 1999 Linear-scaling ah initio calculations for large and complex systems Phys. Status Soiidi B 215 809... 

This rec ord/field terminology allows the treatment of a PDB file as an ordered collection of record types,... 

The text form for parameters uses white space or commas to separate the fields (columns) of the parameter tiles. They can be read by ordinary text editors, w ord processors, etc. In the text form, param eters are easy to m odify but not easy to com pare, stn dy, etc. Many database program s are capable of reading column s of text as a database, h owever. Wh ile spreadsheets are n ot. per se, databases, they can be useful for examining parameter sets. Microsoft Excel, for example, can read the text form of a param eter file and pn t the data in a form easily manipulated as a matrix or a database. The text form of parameters are stored, by default only, in Tart files. 

Molecular chirality is most often observed experimentally through its optical activity, which is the elfect on polarized light. The spectroscopic techniques for measuring optical activity are optical rotary dispersion (ORD), circular di-chroism (CD), and vibrational circular dichroism (VCD). 

The amino add analysis of all peptide chains on the resins indicated a ratio of Pro Val 6.6 6.0 (calcd. 6 6). The peptides were then cleaved from the resin with 30% HBr in acetic acid and chromatogra phed on sephadex LH-20 in 0.001 M HCl. 335 mg dodecapeptide was isolated. Hydrolysis followed by quantitative amino acid analysis gave a ratio of Pro Val - 6.0 5.6 (calcd. 6 6). Cycll2ation in DMF with Woodward s reagent K (see scheme below) yielded after purification 138 mg of needles of the desired cyc-lododecapeptide with one equiv of acetic add. The compound yielded a yellow adduct with potassium picrate, and here an analytically more acceptable ratio Pro Val of 1.03 1.00 (calcd. 1 1) was found. The mass spectrum contained a molecular ion peak. No other spectral measurements (lack of ORD, NMR) have been reported. For a thirty-six step synthesis in which each step may cause side-reaaions the characterization of the final product should, of course, be more elaborate. 

ORD and CD also provide a basis by which the absolute configuration of a compound may be correlated with that of a known compound of similar stmcture by observing changes in degree of rotation with wavelength (87). 

Fig. 7. Influence of copper naphthenate on exotherm temperature. Composition in pph isophthalic laminating resin is cobalt naphthenate (0.20), dimethylaniline (0.05), and copper naphthenate, A (0.00) B (0.01) C (0.015) orD (0.02).

P. deLinde, Silicon Metal Mn Era of Growth and Prosperity SiHcon for SiHcones Conference III, Sande ord, Norway, June 1996, p. 337. 

Although the usual absorption and scattering spectroscopies caimot distinguish enantiomers, certain techniques are sensitive to optical activity in chiral molecules. These include optical rotatory dispersion (ORD), the rotation by the sample of the plane of linearly polari2ed light, used in simple polarimeters and circular dichroism (CD), the differential absorption of circularly polari2ed light. 

Multiple-Hea.rth Roasters. The circular types consist of a series of hearths arranged vertically in such a way that the ore entering the top is rabbled and dropped down from hearth to hearth, until it is completely oxidized. The hearths are usually stationary and the plows revolve, such as in the Wedge, Herreshoff, Ord, Skinner, and other roasters (21). In other furnaces, the hearths revolve and the rabbles are fixed, eg, the deSpirlet and its modification, the Barrier. 

The UV spectrum of a complex conjugated molecule is usually observed to consist of a few broad band systems, often with fine structure, which may be sharpened up in non-polar solvents. Such a spectrum can often be shown to be more complex than it superficially appears, by investigation of the magnetic circular dichroism (MCD) spectrum, or by introduction of dissymmetry and running the optical rotatory dispersion (ORD) or circular dichroism (CD) spectrum. These techniques will frequently separate and distinguish overlapping bands of different symmetry properties <71PMH(3)397). 

The absolute configuration of naturally occurring 5(-)-azetidine-2-carboxylic acid has been established (73CL5), and the DL form has been resolved (69JHC993). ORD and CD curves have been determined for 2-methylazetidine and an octant rule has been proposed for the N-chloro- and N-cyano-2-methylazetidines (74T39). 

Rounded and condensed from Coucb, E. J. and K. A. Kobe, Univ. Texas Rep., Cent. DAI-23-072-ORD-685, June 1, 1956. c = critical point. 

FIG. 2-14 MoUier diagram for nitrous oxide. (Fig. 9, Cfniv. Texas Rep., Cont. DAI-23-072-ORD-685, June 1, 1956, hy Couch and Kobe. Reproduced hy permission.) Some irregularity in the compressibility factors from 80 to 160 atm, 50 to 100 C exists (Couch, private communication, 1.967). See Couch et al.,y, Chem. Eng. Data, 6, (1961) for P -T data. 

The physical data index summarizes the quantitative data given for specific compounds in the text, tables and figures in Volumes 1-7. It does not give any actual data but includes references both to the appropriate text page and to the original literature. The structural and spectroscopic methods covered include UV, IR, Raman, microwave, MS, PES, NMR, ORD, CD, X-ray, neutron and electron diffraction, together with such quantities as dipole moment, pX a, rate constant and activation energy, and equilibrium constant. 

Freeing a solution from extremely small particles [e.g. for optical rotatory dispersion (ORD) or circular dichroism (CD) measurements] requires filters with very small pore size. Commercially available (Millipore, Gelman, Nucleopore) filters other than cellulose or glass include nylon, Teflon, and polyvinyl chloride, and the pore diameter may be as small as 0.01 micron (see Table 6). Special containers are used to hold the filters, through which the solution is pressed by applying pressure, e.g. from a syringe. Some of these filters can be used to clear strong sulfuric acid solutions. 

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