Results 201 to 210 of about 1,321,024 (261)
Journal of the Chemical Society, Dalton Transactions, 1978 After consideration of the limitations of linear treatments for the analysis of kinetic data, a damped non-linear least-squares computer program (DALSFRK) is described. The program, which employs Marquardt's algorithm as the basis of minimisation, has been developed with the aid of synthetic data.
Roland M. Alcock +2 more
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Journal of Inorganic and Nuclear Chemistry, 1979 Abstract Two new computer programs are introduced which determine “best-fit” acid dissociation constants for di-, tri- and tetra-dentate ligands, and “best-fit” complex formation constants for complexes having a maximum order of two, three, or four.
Paul Siders, J. Kirk Romary
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Journal of Molecular Structure, 2002 Abstract FORTRAN computer programs used in the determination of optical constants and other physical properties from transmission measurements have been written by the Jones and Bertie research groups. Over the last several years, C++ has emerged as the standard programming language and it has become desirable to convert these programs. In this paper,
C. Dale Keefe
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Computer Software Reviews. Henry's Law Constant Program
Journal of Chemical Information and Computer Sciences, 1995 Douglas A. Coe
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International Journal of Bio-Medical Computing, 1987 The paper describes a program (DESCENT) which evaluates the constants of the exponential model for a regulatory enzyme with up to four substrates or up to three substrates and one effector. The program operates by repetitive adjustment of the model constants so as to secure a better fit between the observed and calculated initial velocities of reaction.
Stanley Ainsworth +2 more
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Die Angewandte Makromolekulare Chemie, 1977 AbstractThe vinyl chloride batch suspension polymerization at constant polymerization rate governed by means of a temperature program, is presented.The method of establishing this temperature program by means of a digital computer, using the kinetic model proposed by Hamielec et al. for mass and suspension polymerization of vinyl chloride, is described.
M. Macoveanu, V. Nagacevschi, D. Feldman
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Computer calculation of equilibrium constants by use of the program SCOGS; a correction
Talanta, 1971 I. G. Sayce
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A computer program for calculating antibody affinity constants
Computer Methods and Programs in Biomedicine, 1988A program is presented for the calculation of antibody affinity constants which avoids the limitations of graphical plotting of titration data using the Sips or Scatchard equations.
Dennis P. Nelson +3 more
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Program PKAS: a novel algorithm for the computation of successive protonation constants [PDF]
Canadian Journal of Chemistry, 1982 A new algorithm for the simultaneous determination of any number of protonation constants from potentiometric equilibrium data is described. This algorithm is characterized by a unique approach to the internal refinement of the constants and by the analytical nature of the numerical analysis whereby minimization is sought and achieved on the residuals
Ramunas J. Motekaitis, Arthur E. Martell
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