Value keyword

When you decide to sell this car, you face still another unpleasant surprise the extremely low resale value, [keyword, transition phrase]... 

Keywords reducing uncertainty, cost-effective information, ranking sources of uncertainty, re-processing seismic, interference tests, aquifer behaviour, % uncertainty, decision tree analysis, value of information, fiscal regime, suspended wells, phased development. 

Keywords economic model, shareholder s profit, project cashflow, gross revenue, discounted cashflow, opex, capex, technical cost, tax, royalty, oil price, marker crude, capital allowance, discount rate, profitability indicators, net present value, rate of return, screening, ranking, expected monetary value, exploration decision making. 

You can specify a different temperature, pressure, and/or set of isotopes for the thermochemical analysis by specifying the Readlsolopes option to the Frecj keyword in the route section. Values for all parameters must then be specified in a separate input section following the molecule specification—and separated from it by a blank line. 

Optimize the structure of acetyl radical using the 6-31G(d) basis set at the HF, MP2, B3LYP and QCISD levels of theory. We chose to perform an Opt Freq calculation at the Flartree-Fock level in order to produce initial force constants for the later optimizations (retrieved from the checkpoint file via OptsReadFC). Compare the predicted spin polarizations (listed as part of the population analysis output) for the carbon and oxygen atoms for the various methods to one another and to the experimental values of 0.7 for the C2 carbon atom and 0.2 for the oxygen atom. Note that for the MP2 and QCISD calculations you will need to include the keyword Density=Current in the job s route section, which specifies that the population analysis be performed using the electron density computed by the current theoretical method (the default is to use the Hartree-Fock density). 

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). 

Gaussian also includes a facility for estimating molecular volumes for SCRFsDipole calculations. An energy calculation run with the Volume keyword will produce an estimate value for Uq. For example, here is the output indicating the recommended value for Oq for formaldehyde (RHF/6-31+G ) ... 

Similarly, general syntax statements for Gaussian input are set off from the text, set in fixed-width type. Within syntax statements, literal keywords appear in fixed-width type while replaceable parameters—items for which you must substitute the appropriate value—are set in normal italic type ... 

Keywords Refused Derived Fuels (RDF), Dry Stabilization Process (DSP), Municipal Solid Waste (MSW), Waste composition, Waste amount, Heating value, Emission Factor (EF)... 

It is known that ab initio methods are not accurate in reproducing or predicting molecular dipole moments. For example, a typical basis set minimization with no additional keywords was carried out, and the results show that the computed magnitude of the dipole moment is not particularly accurate when compared with experimental values. For alcohols, MP2 has a root mean squared deviation of 0.146 Debye, while HF had a deviation of 0.0734 Debye when measured against the experimental values. 

Keywords biological monitoring biological threshold limit value body fluids ... 

The keyword label of a standard Pople-style split-valence basis specifies the sp sets (groups of CGTOs of s and p symmetry) with distinct zeta values for each atomic shell, as well as the contraction length of each CGTO. The keyword contains the following syntactical components ... 

Keywords New Brunswick, soil chemistry, environment, radon, health, background values... 

Keywords Agronomic value of composting Anaerobic digestion Biowaste Compost quality Composting process Maturity... 

Keywords Zirconium Antimonoarsanotungstate, synthesis, Kd values, ion exchange capacity... 

The various chemical requirements of each derivative group are summarized in Table 8.1. In order to implement these requirements, a component specification language has been developed. This specification language contains a combination of keywords, target values, and Boolean operators. A brief summary of these commands is listed in Table 8.2 below. The specification language allows the user to control... 

Keywords Aluminum, Gallium, Indium, Classification, Geometry, Structure, Tau value... 

Keywords Traceability Units Reference value Metrology Accreditation Scale... 

The Input Translator is completely table driven. This means that all of the information needed to process input statements (such as names of keywords, default values of data items, etc.) is stored in tables in a file called the System Definition File. Therefore, it is easy to add keywords or change defaults by changing entries in the System Definition File. In addition to the Input Language tables, almost any "changeable" information related to Input Translation is stored in the System Definition File. This includes unit conversion tables, attribute descriptions, physical property option models, data structure, unit operation model data, and stream requirements, etc. Thus it is easy to add new system parameters without changing any code in the Input Translator. 

Isoelectric focusing is a mature separation technique that has a place in any laboratory doing work with proteins. The analysis of a protein is not complete without a determination of its isoelectric point and all protein databases have at least estimates of the pis of the represented proteins. Proteins thought to be pure by other methods are often found to be mixtures of several proteins when analyzed by IEF. Isomeric forms of the same protein that are revealed by IEF are valuable indicators of mutations or differences in posttranslational modifications. IEF plays a crucial role in 2-D PAGE and preparative IEF allows for high-purity fractionations of unparalleled resolution. A simple keyword search of literature databases shows that about 500 journal articles are written per year referring to IEF. This amply attests to the value of IEF as a tool for protein analysis and purification. 

The unit used for the input of concentrations can be defined with the keyword units. Possible units are mass or moles per liter solution, moles per kg solution or moles per kg water. Concentrations thereby can be given in g, mg, ug (not pg) or mol, mmol, and umol. Temperature (temp) is denoted in °C. The density (density) can be entered in g/cm3, with a default of 0.9998. That information is especially important for highly mineralized waters, like e.g. seawater. To input the measured Eh value a conversion to the pE value is necessary (see chapter 1.1.5.2.2, Eq. 65). If no pE value is given, pE is assumed to be 4 by default. A redox couple (redox) can be defined to calculate the pE value that will be used to model the species distribution of redox sensitive elements if no pE is given. 

Furthermore, the command charge can be used with ary element, the pH or the pE value, but it may only appear once in the whole input file (as in the example with chloride). The use of charge enforces a total charge compensation by means of the chosen element or the pH or the pE value, respectively and thus maintains electrical balance. The element with the highest concentrations might be chosen to keep the relative error as small as possible by means of an arbitrary increase or decrease of the concentration for charge compensation. The keyword charge may not be used with Alkalinity . 

Alternatively to the keyword SOLUTION, SOLUTIONSPREAD can be used for the input of solution. The input is transposed compared to the input for SOLUTION, i.e. the rows of input for SOLUTION become the columns of input for SOLUTION SPREAD. It is especially convenient to define more than one aqueous solution composition using this tab-limited format. Data obtained e g. from a laboratory spreadsheet format can be copied directly into the PHREEQC input file. SOLUTION SPREAD is compatible with the format of many spreadsheet programs, as e.g. Excel. The column headings are element names, element valence state names or isotope names. One subheading can be used to define speciation (e.g. as S04 , or as N03 ), specify element specific units, redox couples, phase names and saturation indices. All succeeding lines are the data values for each solution, with one solution defined on each line. 

First of all both solutions, the acid mine water and the groundwater, are defined in the PHREEQC input file and mixed applying the keyword MIX. Then this solution is saved as solution 3 (SAVE SOLUTION) and the job is finished by END. A second job follows, which uses again SOLUTION 2 (groundwater) and SOLUTION 3 (1 1 diluted water) via the key word USE, once again mixes both solutions 1 1, and saves the result as SOLUTION 4, etc. SELECTED OUTPUT facilitates the further data processing in EXCEL by providing the pH values and the molalities of all uranium species. The key word itself has to be repeated for every job, as well as the definition of the desired parameters pH and molalities. 

Property Method Calculated property value Method used for property calculation (identifier or keyword)... 

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