Computer program for calculation

S. Gordon and B. J. McBride, Computer Program for Calculation of Complex Equilibrium Compositions. Rocket Peformance Incident and Reflected Shocks and Chapman-]ouquetDetonations, NASA-Lewis Research Center, NASA, Airport, Md., Mar. 1976. 

Gordon, S. and McBride, B. J. 1976. Computer Program for Calculation of Complex Chemical Equilibrium Compositions, Rocket Performance, Incident and Reflected Shocks, and Chapman-Jouguet Detonations. Report SP-273. Interim Revision, Report N78-17724. National Aeronautics and Space Administration, Washington, DC. 

Fabiato, A. (1988). Computer programs for calculating total from specified free or free from specified total ionic concentrations in aqueous solutions containing multiple metals and ligands. Method. Enzymol. 157 378-417. 

Radial distribution function, 79 computer program for calculating, 96-106 Rate constant, see Rate of reaction Rate of reaction ... 

Johnson, P.W., Peters, F.A. A Computer Program for Calculating Capital and Operating Costs, Department of Interior, U. S. Government Printing Office, Washington, D.C., 128.27 no. 8426, 1969. 

Computer Program for Calculation of Complex Chemical Equilibrium Compositions and Applications, NASA Reference Publication, Cleveland, Ohio, 1994.)... 

Truesdell, A. H. and B.F Jones, 1974, WATEQ, a computer program for calculating chemical equilibria of natural waters. US Geological Survey Journal of Research 2, 233-248. 

The addition of further components makes the presentation of the phase diagrams increasingly complex. The principles are general, however, and calculation of a vertical section in a quinternary system like Fe-Cr-Mo-W-C [19], for example, is fairly easily done by the use of large computer programs for calculation of phase diagrams based on thermodynamics. 

Several computer-based techniques have been developed for more specific applications. Truesdell (45) describes a computer program for calculating equilibrium distributions in natural water systems, given concentrations and pH. Edwards, et al. (31, Z2) have developed computer programs for treating volatile weak electrolytes such as ammonia, carbon dioxide and hydrogen sulfide systems however, in their present state these programs (presumably) do not accommodate metallic species in solutions. 

Gordon, S., and McBride, B. J., computer program for calculation of complex chemical equilibrium compositions, rocket performance, incident and reflected shocks and Chapman-Jougonet detonations, NASA SP-273 (1976). 

Connolly J. A. D. and Kerrick D. M. (1987). An algorithm and computer program for calculating composition phase diagrams. CALPHAD, 11 1-55. 

A computer program for calculating steady-state fluxes and metabolite concentrations of metabolic systems on the IBM-PC and compatible computers. The software provides a simple means for calculating the control structure of a pathway. 

A computer program for calculating the scattering coefficients (8.38) and the corresponding cross sections and scattering matrix elements is described in Appendix C all the examples in this section were obtained with this program. 

Bohren, C. F., and V. Timbrell, 1979. Computer programs for calculating scattering and absorption by normally illuminated infinite cylinders, Project No. 38, Institute of Occupational and Environmental Health, Montreal. 

Sabljic, A., and D. Horvatic, GRAPH III A Computer Program for Calculating Molecular Connectivity Indices on Microcomputers. J. Chem. Inf. Comput. Sci., 1993 33, 292-295. 

Purine bases IC. Computer programs for calculating the relative compositions of nucleotides, nucleic acids, purines. 

Felmy, A. R. Girvin, D. C. and Jenne, E. A. "MINTEQ - A Computer Program for Calculating Aqueous Geochemical Equilibria" Battelle, Pacific Northwest Laboratories Richland, Washington (in preparation). 

Qualified and calibrated equipment, including robotic methods Validated LIMS, computer programs for calculation, and other data-handling systems... 

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