Results 211 to 220 of about 1,321,024 (261)
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A desk computer program for the calculation of rate constants
Reaction Kinetics and Catalysis Letters, 1984A desk computer program has been written in BASIC programming language to optimize the values of rate constants determined from kinetic measurements of time and concentration data. The program is capable of the simultaneous refinement of a maximum of 5 rate constants. A FORTRAN version using the Gear method is also available.
Gy. Bazsa +3 more
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Computer program of calculation method for a constant-environment calorimeter
Thermochimica Acta, 1987Abstract A computer program (in BASIC) for the determination of heats of solution and reaction in a constant-environment calorimeter has been developed. Particular attention was paid to the choice of parameters such as K / C and the endpoint of a generic calorimetric reaction in solution.
R. Rosati, F. Rodante
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An improved computer program for the computation of formation constants from potentiometric data
Inorganica Chimica Acta, 1976Abstract An improved version of the computer program MINIQUAD is described. The new program, MINIQUAD 75, is faster by a factor of 2–3 and more reliable in extreme cases. The programs are compared on a benchmark consisting of eight chemical problems.
Peter Gans +2 more
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, 1963 Analytica Chimica Acta, 1986
Abstract The performance of five of the best-known computer programs LETAGROP, SCOGS, MINIQUAD, SUPERQUAD and ESTA, is critically discussed. All these programs are based on least-squares refinement procedures but differ in some important aspects: (a) the definition of the residuals function; (b) the minimization procedure; (c) the statistical and ...
Enric Casassas +2 more
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Abstract The performance of five of the best-known computer programs LETAGROP, SCOGS, MINIQUAD, SUPERQUAD and ESTA, is critically discussed. All these programs are based on least-squares refinement procedures but differ in some important aspects: (a) the definition of the residuals function; (b) the minimization procedure; (c) the statistical and ...
Enric Casassas +2 more
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Computational complexity via programming languages: constant factors do matter
Acta Informatica, 2000The purpose of this work is to promote a programming-language approach to studying computability and complexity, with an emphasis on time complexity. The essence of the approach is: a programming language, with semantics and complexity measure, can serve as a computational model that has several advantages over the currently popular models and in ...
Ben-Amram, Amir M., Jones, Neil D.
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A computer program to support equilibrium constant theory
Journal of Chemical Education, 1975A Fortran IV program calculates ten different K values based on different equilibrium expressions that are chosen at random.
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Computer programs for calculating equivalent conductivity and dissociation constants
Journal of Chemical Education, 1970Lists several computer programs available for calculating equivalent conductivity and dissociation constants.
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Computer Programs in Biomedicine, 1980
We propose a method allowing the automatic determination of equilibrium constants and binding site concentrations for an immune serum composed of a series of homogeneous antibody subpopulations. It is then possible to decompose the 'Scatchard plot' in its straight components corresponding to each antibody subpopulation.
C. Nemoz +3 more
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We propose a method allowing the automatic determination of equilibrium constants and binding site concentrations for an immune serum composed of a series of homogeneous antibody subpopulations. It is then possible to decompose the 'Scatchard plot' in its straight components corresponding to each antibody subpopulation.
C. Nemoz +3 more
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Eyringpy: A program for computing rate constants in the gas phase and in solution
International Journal of Quantum Chemistry, 2018AbstractEyringpy is a modular program for calculating thermochemical properties and rate constants for reactions in the gas phase and in solution. The code is written in Python and it has a user‐friendly interface and a simple input format. Unimolecular and bimolecular reactions with one and two products are supported.
Eugenia Dzib +5 more
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