Results 261 to 270 of about 1,118,392 (326)
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Journal of inclusion phenomena and molecular recognition in chemistry, 1997
A computer program is presented for the computation of association constants for host/guest compounds based on experimental data obtained from the NMR spectra of samples with different host/guest ratios of known concentration.
Dolors Salvatierra +2 more
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A computer program is presented for the computation of association constants for host/guest compounds based on experimental data obtained from the NMR spectra of samples with different host/guest ratios of known concentration.
Dolors Salvatierra +2 more
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A program for computing the Liapunov functions and Liapunov constants in scratchpad II
ACM SIGSAM Bulletin, 1989This report describes the implementation and use of a program for computing the Liapunov functions and Liapunov constants for a class of differential systems in Scratchpad II.
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Journal of the Chemical Society, Dalton Transactions, 1985
A new computer program has been developed in which formation constants are determined by minimisation of an error-square sum based on measured electrode potentials. The program also permits refinement of any reactant concentration or standard electrode potential. The refinement is incorporated into a new procedure which can be used for model selection.
Peter Gans +2 more
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A new computer program has been developed in which formation constants are determined by minimisation of an error-square sum based on measured electrode potentials. The program also permits refinement of any reactant concentration or standard electrode potential. The refinement is incorporated into a new procedure which can be used for model selection.
Peter Gans +2 more
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POLAG—a general computer program to calculate stability constants from polarographic data
Talanta, 1980A general computer program, POLAG, that will calculate stability constants from polarographic data, has been written. The program requires no pretreatment of the experimental data. Any equilibrium model, consisting of species having the general formula M(m)H(j)(OH)(k)L(n)L'(p) may be fitted to the data. The performance and versatility of POLAG has been
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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 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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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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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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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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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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