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Program generator

These programs generate one low-energy conformation for each molecule. [Pg.413]

Note if K = 0, the program generates an F-curve for the non-ideal reactor. [Pg.444]

Government initiatives and programs generating greater awareness... [Pg.422]

An Instron Tensile Tester Model TM was Interfaced to a micro-computer for data collection and transmission to a minicomputer. A FORTRAN program was developed to allow data analysis by the minicomputer. The program generates stress-strain curves from the raw data, calculates physical parameters, and produces reports and plots. [Pg.123]

ADEQUATE data. For data set A, the program generated 1310 structures when hybridization states were not pre-defined. In contrast, data sets B, C, and D led to the generation of 27, 16, and 4 structures, respectively. Complete 1,1-ADEQUATE correlations reported for the bromo- and dibromophakellins (18a, 18b) and the bromo- and dibromoi-sophakellins (19a, 19b) are shown on the structures. [Pg.244]

Note if K=0, the program generates a tracer step-response curve for the nonideal reactor. [Pg.376]

Case Run Block - This program group is used to solve the resulting program for the Program Generator. Imbedded in it are heuristics to take user input data and solve the complex models by a sophisticated Newton-Raphson technique. [Pg.235]

FRACHEM Block - This block of programs is linked to the subroutine created by the Program Generator to solve multistage electrolyte towers which are not limited to being in complete chemical equilibria. The FRACHEM Block and applications are described separately in a recent paper (12). [Pg.235]

The simplicity and clarity of CONCISE has been retained in the automated rule generator which creates CONCISE interpretation rules for PAIRS based on a representative set of IR spectra. The rule generator uses peak position, intensity, and width tables produced by an automated peak picking routine. This method reduces the dependency on published frequency correlation data and enhances the usefulness of data already available. All work was done using the version of PAIRS running on a Nicolet 1180 minicomputer and programs generated have been optimized for this system. [Pg.313]

Spillover / cross-sell The program generates major The program offers some It is hard to imagine... [Pg.156]

Find S 2 by using the program FUNCT MAT (this program generates a function of a matrix). This program will ask for the elements of the S array and write to disk a file... [Pg.587]

I even use a related form of divination to create patents. I make a list of devices in column A and a list of attributes or features in column B, and have a computer program generate an invention title by randomly choosing a device and a feature. If one can think of suitable application for the invention, it is relatively easy to embellish the basic concept and generate patentable ideas. [Pg.69]

None of the programs, corresponding to such enumeration, terminates. More precisely, the programs generate some sporadic maps and then the maps of the infinite series of our conjecture. So, our conjecture is true up to 400 vertices. But to prove it would require a deeper analysis of the behavior of those programs, and the technicalities, in terms of programming, would be tremendous. [Pg.270]

It can be necessary and/or desirable to impose symmetry and equivalence restrictions on quantum chemical calculations or results beyond the single-configuration SCF level. For instance, most Cl programs generate natural orbitals (NOs) after computing the Cl wave function, by forming and diagonalizing the first-order reduced density matrix or 1-matrix p in... [Pg.150]

Often, the programs generate additional output files, such as a postscript drawing in the current directory. Therefore, change to a working directory where you have write permission before running any of the programs. [Pg.188]

It is proper to emphasize the fact that there is no mathematical way of determining how correct is the numerical solution of a nonlinear differential equation, just by looking at what an algorithm predicts for linear forms of the same problem. Even if a computer program generates accurate numerical solutions which are in agreement with analytical solutions of the linear forms of a nonlinear equation, the solutions in the nonlinear domain may not be correct. [Pg.88]

This expression is very similar to those in the normal orthogonal case. We may therefore use any general gradient package. Our VB program generates the density matrices and the matrix L, which is used instead of the Lagrange multiplier matrix of for instance a MCSCF function. [Pg.88]

Zemaitis, J. F., Jr. Rafal, M., "Automatic Program Generation Applied to Chemical Equilibria and Reactions in a Fractionation Tower Design -FRACHEM", Paper presented to AIChE Meeting in Chicago, November 1976. [Pg.37]

Using these methods to describe an aqueous electrolyte system with its associated chemical equilibria involves a unique set of highly nonlinear algebraic equations for each set of interest, even if not incorporated within the framework of a complex fractionation program. To overcome this difficulty, Zemaitis and Rafal (8) developed an automatic system, ECES, for finding accurate solutions to the equilibria of electrolyte systems which combines a unified and thermodynamically consistent treatment of electrolyte solution data and theory with computer software capable of automatic program generation from simple user input. [Pg.305]

Figures 2 and 3 are the subroutines produced by the ECES program generator to describe the activity coefficients and activity of water in SUBROUTINE ACAL and the chemical and ionic equilibria, electroneutrality,and elemental balances in SUBROUTINE FCAL. These subroutines were developed for the ammonia-carbon dioxide scrubber described in Appendix I. The IF conditions are used to eliminate particular functional equations if for seme reason particular ionic species are absent from a stage. This occurs for instance on the stages above the stage where NaOH is added for pH control. Since Na+ is not volatile, any equilibria or elemental balances involving this species are not valid above the caustic feed stage. Figures 2 and 3 are the subroutines produced by the ECES program generator to describe the activity coefficients and activity of water in SUBROUTINE ACAL and the chemical and ionic equilibria, electroneutrality,and elemental balances in SUBROUTINE FCAL. These subroutines were developed for the ammonia-carbon dioxide scrubber described in Appendix I. The IF conditions are used to eliminate particular functional equations if for seme reason particular ionic species are absent from a stage. This occurs for instance on the stages above the stage where NaOH is added for pH control. Since Na+ is not volatile, any equilibria or elemental balances involving this species are not valid above the caustic feed stage.
The DX6 program generates most of the symmetric designs, Taguchi orthogonal designs, and exact D-optimal designs for process, mixture, and process+mixture combined spaces. DX6 can also handle constrained mixtures. It can also produce the respective two- and three-dimensional-contour Descartes and mixture plots. There is considerable flexibility provided in model construction and their modification. [Pg.319]


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See also in sourсe #XX -- [ Pg.235 ]

See also in sourсe #XX -- [ Pg.43 , Pg.47 , Pg.57 ]




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