Numerical determination of vibrational force constants by means of a simplex minimizing method
- 1 January 1976
- journal article
- Published by Elsevier in Journal of Molecular Spectroscopy
- Vol. 59 (1) , 1-7
- https://doi.org/10.1016/0022-2852(76)90035-7
Abstract
No abstract availableKeywords
This publication has 14 references indexed in Scilit:
- Reparameterized vibrational force constants—I: Method and application to four square-pyramidal moleculesSpectrochimica Acta Part A: Molecular Spectroscopy, 1971
- An Efficiency Reanalysis of the ResultsJournal for Research in Mathematics Education, 1971
- Machine computation of force constants—I. Problems of convergence and degree of indeterminacy of computed best-fit valuesSpectrochimica Acta Part A: Molecular Spectroscopy, 1967
- Calculation of quadratic molecular potential constants by the method of damped least squaresJournal of Molecular Spectroscopy, 1965
- Method of Adjusting Force Constants and Its Application to H2O, H2CO, CH2Cl, and Their Deuterated MoleculesThe Journal of Chemical Physics, 1965
- A Simplex Method for Function MinimizationThe Computer Journal, 1965
- Force constant calculations—I: Theory and procedureSpectrochimica Acta, 1963
- Vibrational analysis of the n-paraffins—IISpectrochimica Acta, 1963
- Transferability of Urey-Bradley Force Constants. I. Calculation of Force Constants on a Digital ComputerThe Journal of Chemical Physics, 1960
- Normal Coordinate Analysis of Halogenated Ethylenes. I. General MethodsThe Journal of Chemical Physics, 1957