Help option

Several tutorials and Help options are available on the home page. 

Multiple Chemical Sensitivity A Survival Guide. Pamela Reed Gibson. Oakland, CA New Harbinger Publications, 1999. Features survival tools for coping with many aspects of MCS coping with the life impact of a chronic illness and with the unique aspects of MCS the need for social support, medical intervention and environmental controls self-help options identity and psychological issues applying for disability benefits and much more. 

The ID WIN-NMR and the 2D WIN-NMR Help options will give you detailed information on a given topic as well as how to apply the corresponding processing options. ID WIN-NMR has seven and 2D WIN-NMR has ten main topics ... 

Automatic Calls a dialog box to control the automatic integration, which can be carried out for either the whole spectrum or for automatically fixed regions. Automatic detection of integration regions is controlled by four parameters. Use the Help option for details. 

A further integral mode is available with Integration in the Process pull-down menu. This, however, will simply replace the spectrum by its integral. Its main purpose is to inspect the integral of the whole spectrum before actually and interactively execute the integration. Use the Help option for more informations if necessary. 

D WIN-NMR offers a Remove Diagonal function, which allows you to determine the region of the diagonal to be removed in two different ways (numerically or interactively). For more information use the Help option. 

The simplest and most generally useful synthetic method for metal diketonates is from the diketone and a metal such as a halide, hydroxide, oxide, sulfate, carbonate, carboxylate, etc. in a variety of solvents such as water, alcohol, carbon tetrachloride or neat diketone. Since many / -diketones are poorly soluble in water, use of an organic solvent or cosolvent may be helpful. Optionally, a base such as sodium carbonate, triethylamine or urea may be added. Addition of a base early in the reaction converts the diketone to its conjugate base, which usually has greater solubility in aqueous media.159 In some cases, metal halide complexes of the diketone form as intermediates, e.g. SnCl4(MeCOCH2COMe), which has been formulated as... 

Generating input for Mercator. For custom jobs (e.g., to parallelize some tasks), you may wish to generate the input for Mercator without using the makeMercatorlnput script. In such cases, consult the README file in the Mercator distribution for exact specifications of the various input files that are required. Some routines of makeMercatorlnput are customizable via command-line options. Use the —help option to get full usage information. 

Online documentation on the usage of each program can be obtained by using the — help option, e.g. ... 

File Storage Display Options Scecial Window Help... 

Give the calculation (with DIIS) more SCF iterations. This seldom helps, but the next option often uses so many iterations that it is worth a tiy. 

Unrestricted calculations often incorporate a spin annihilation step, which removes a large percentage of the spin contamination from the wave function. This helps minimize spin contamination but does not completely prevent it. The final value of (,S y is always the best check on the amount of spin contamination present. In the Gaussian program, the option iop(5/14=2) tells the program to use the annihilated wave function to produce the population analysis. 

Any program developed in-house must be easy to use, or user-friendly. If the program has various options for input, analysis, computation, and output, then it must provide the user with a fast way to select them. To meet this need, the system is likely to be menu-driven. The peripheral interactive devices such as mice, joysticks, light pens, graphic tablets, and templates are helpful and often used to expedite the selection process. 

The purpose of this subsection is to outhne the basic elements of a pollution-prevention cost-accounting system that incorporates both traditional and less tangible economic variables. The intent is not to present a detailed discussion of economic analysis but to help identify the more important elements that must be considered to properly quantify pollution-prevention options. 

There are many other options that can be specified. The appropriate API standard can be consulted. Paragraphs that contain user decisions or choices are marked to help the user in writing the specification. Vendor literature generally gives guidance in those areas where the vendor has options available, which is a help for non-API equipment. 

The cloth must be checked for holes and the optional cocks on the filtrate port of each plate help in identifying damaged cloths. 

The tools in CCPS (1994a) can be used in each stage of the chemical process life cycle to help evaluate the tradeoffs involving human factors between various options. In many cases, low cost options in design can make the operations inherently safer from a human factors perspective. 

There are many different arrangements of the shells, tubes and baffles in heat exchangers. Figure 3-6 is a list of TEMA standard cIassification.s for heat exchangers, which helps to describe the various options. These... 

Perform the IRC calculation (requested with the IRC keyword). This job will help you to verify that you have the correct transition state for the reaction when you examine the structures that are downhill from the saddle point. In some cases, however, you will need to increase the number of steps taken in the IRC in order to get closer to the minimum the AAoxPoinb option specifies the number of steps to take in each direction as its argument. You can also continue an IRC calculation by using the lRC=(ReStorhMaxPointe=n) keyword, setting n to some appropriate value (provided, of course, that you have saved the checkpoint file). 

For our initial geometry for the transition structure, we ll detach one hydrogen from the carbon and increase the O-C-H bond angle. We specified the Opt=(TS,CalcFC) keyword in the route section, requesting an optimization to a transition state. The CalcFC option is used to compute the initial force constants, a technique which is generally helpful for transition state optimizations. We ve also included the Freq keyword so that a frequency calculation will automatically be run at the optimized geometry. 

Run your study at the Hartree-Fock level, using the 6-31+G(d) basis set. Use a step size of 0.2 amu bohr for the IRC calculation (i.e., include IRC=(RCFC, StepSize=20) in the route section). You will also find the ColcFC option helpful in the geometry optimizations. 

---