Error Estimates for Fitted Parameters: Application to HCl/DCl Vibrational-Rotational Spectroscopy

• Scott E. Feller ^[1] ; Charles F. Blaich ^[1]
  1. [1] Wabash College

     Wabash College

     Township of Union, Estados Unidos

     
• Localización: Journal of chemical education, ISSN 0021-9584, Vol. 78, Nº 3, 2001, pág. 409
• Idioma: inglés
• Texto completo no disponible (Saber más ...)
• Resumen

  • A method is described for the calculation of spectroscopic constants and their associated uncertainties from the analysis of infrared spectra of diatomic molecules. The technique is an extension of one described previously (Iannone, M. J. Chem. Educ. 1998, 75, 1188-1189) utilizing statistical Monte Carlo sampling and nonlinear least-squares data fitting. The calculations are performed using Microsoft Excel and a Microsoft Visual Basic macro.