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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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A Computer Program for Estimation of the Constant Elasticity of Substitution Production Function
Applied Statistics, 1971The paper describes a Fortran IV program for estimation of a non‐linear‐in‐the‐parameters production function known as the Constant Elasticity of Substitution (CES) model (see Arrow et al., 1961). This model, specified with multiplicative errors, is estimated by applying an approximate modified Newton method in which second‐order derivatives are not ...
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A computer program to evaluate a counting loss correction constant in XRF analysis
X-Ray Spectrometry, 1981Abstract Different sources of counting loss are described and the relation R t = R m exp ( R t τ) is considered valid for most ...
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Talanta, 1985
The program MINIPOL, designed to run on a desk-computer with 32 kbytes of memory, can calculate the optimum values of overall protonation constants and molar intensities of up to 8 species with composition H(XXX)L(rho), from differential-pulse polarographic data.
V, Cerdá, R, Forteza
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The program MINIPOL, designed to run on a desk-computer with 32 kbytes of memory, can calculate the optimum values of overall protonation constants and molar intensities of up to 8 species with composition H(XXX)L(rho), from differential-pulse polarographic data.
V, Cerdá, R, Forteza
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An APL computer program for estimating rate constants of drug absorption.
Arzneimittel-Forschung, 1983The algorithm of this program for estimating rate constants of drug absorption is mainly based on the Loo-Riegelman method. In order to improve the flexibility of the program, several options for the users were included: one-, two- as well as three-compartment open models with first-order elimination; two optional methods to calculate the area under ...
Y L, Zeng +3 more
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An improved computer program for calculating formation constants of ligand complexes from pH data
Analytica Chimica Acta, 1984Abstract Several improvements are made to available computer programs for calculating formation constants from pH data. The most important features are wide portability of program among computers, ability to optimize any parameter in the model equations and to fix any parameters (including stepwise formation constants) to a constant, and options to ...
John P. Chandler +3 more
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Algorithms for computing and programming transformer loss constants in solid-state meters
1998 Rural Electric Power Conference Presented at 42nd Annual Conference, 2002Many utilities use wholesale points of delivery or utility intertie metering involving metering applications on transformer buses. With utility deregulation on the horizon, cogenerators are becoming more common in the electric utility business. As in the case of joint utility interties, many cogeneration installations involve metering on a transformer ...
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Computer Physics Communications, 1993
Given an electronic wave function, generated by the MCHF program (LS format) or the MCHF_CI program (LSJ format), this program computes the hyperfine interaction constants, A(J) and B(J). In strong experimental magnetic fields, the splitting is also affected by the off-diagonal hyperfine constants A(J,J-1), B(J,J-1), and B(J,J-2) and these are computed
Per Jönsson +2 more
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Given an electronic wave function, generated by the MCHF program (LS format) or the MCHF_CI program (LSJ format), this program computes the hyperfine interaction constants, A(J) and B(J). In strong experimental magnetic fields, the splitting is also affected by the off-diagonal hyperfine constants A(J,J-1), B(J,J-1), and B(J,J-2) and these are computed
Per Jönsson +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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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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General Computer Programs for the Determination of Formation Constants from Various Types of Data
1985In chemical equilibrium studies it is often necessary to find an adequate model description, represented by the function f(x; β 1,..., β m ). Good agreement between the experimental data and the values calculated from that model is taken as evidence of having selected the best model. It should be noted immediately that this is not the only criterion by
Josef Havel, Milan Meloun
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