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Computers & Chemistry
Title
Publication Date
Language
Citations
The numerical solution of some kinetics models with VODE and CHEMKIN II
1993/09/01
English
35
Fitting of magnetic susceptibility data as a function of temperature of various spin systems—A FORTRAN program
1996/09/01
English
35
Multiple straight-line least-squares analysis with uncertainties in all variables
1990/01/01
English
34
FTOTAL, A program to process total luminescence spectra
1993/12/01
English
34
Definition, mathematical examples and quantum chemical applications of nested summation symbols and logical Kronecker deltas
1994/06/01
English
33
DECFAM—A new computer oriented algorithm for the determination of equilibrium constants from potentiometric and/or spectrophotometric measurements—II
1984/01/01
English
31
Determination of the first order consecutive reaction rate constants from final product
1988/01/01
English
31
Direct analysis of chemical relaxation signals by a method based on the combination of Laplace transform and Padé approximants
1987/01/01
English
30
Comparison of weighted and unweighted target transformation rotations in factor analysis
1981/01/01
English
29
Computer-assisted enumeration of walks and self-returning walks on chemical graphs
1985/01/01
English
29
Computation of kinetic constants for large range internal motions in molecules
1994/03/01
English
28
Method for analyzing exponential decays
1987/01/01
English
28
Atoms—a three-d opaque molecule system—for color pictures of space-filling or ball-and-stick models
1977/01/01
English
28
Application of a time-delay neural network to promoter annotation in the Drosophila melanogaster genome
2001/12/01
English
27
A reaction compiler for electrochemical kinetics
1996/08/01
English
27
A maximum entropy principle for the distribution of local complexity in naturally occurring nucleotide sequences
1992/04/01
English
27
A protein structure comparison methodology
1996/09/01
English
26
ELSIM—A PC program for electrochemical kinetic simulations. Version 2.0—solution of the sets of kinetic partial differential equations in one-dimensional geometry, using finite difference and orthogonal collocation methods
1993/12/01
English
26
A program for determination of composition and thermodynamics of the ideal gas-phase equilibrium isomeric mixtures
1989/01/01
English
26
A monte-carlo approach to error propagation
1984/01/01
English
26
Statistical analysis of the isokinetic relationship using a programmable calculator
1982/01/01
English
26
Cluster analysis by simulated annealing
1994/06/01
English
26
A method to compute the volume of a molecule
1982/01/01
English
26
An extended ode solver for sensitivity calculations
1984/01/01
English
25
The principles and practice of molecular mechanics calculations
1977/01/01
English
25
Programmable microcomputer-controlled ramp generator for use in electrochemical experiments
1986/01/01
English
25
A curve-fitting program set for handling of differential pulse polarograms
1988/01/01
English
25
A numerov-type method for computing eigenvalues and resonances of the radial Schrödinger equation
1996/08/01
English
25
How accurate does a force field need to be?
1989/01/01
English
25
Symmetry-eigenfunctions for many-electron atoms and molecules: A unified and friendly approach for frontier research and student training
1989/01/01
English
24
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