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Symbolic Software in the Chemistry Curriculum
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Abstract
In this column we focus on two significant topics for young chemists. The first is curve-fitting and the statistical analysis of the fitting parameters. The second is the analysis of the rotation/vibration spectrum of a diatomic molecule, HCl.
Keywords (Audience):
Upper-Division UndergraduateKeywords (Domain):
Physical ChemistryKeywords (Feature):
Mathcad in the Chemistry CurriculumKeywords (Pedagogy):
Computer-Based LearningKeywords (Subject):
ChemometricsCiting Articles
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This article has been cited by 2 ACS Journal articles (2 most recent appear below).

Global Least-Squares Analysis of the IR Rotation–Vibration Spectrum of HCl
Joel TellinghuisenJournal of Chemical Education2005 82 (1), 150Global Least-Squares Analysis of the IR Rotation–Vibration Spectrum of HCl
Joel TellinghuisenJournal of Chemical Education2005 82 (1), 150The study of the IR rotation–vibration spectrum is a mainstay of the undergraduate laboratory curriculum in spectroscopy. Typical spectra consist of the fundamental and overtone bands for H35Cl and H37Cl (and sometimes D35Cl and D37Cl). These can be ...

Spektri-Sim: Interactive Simulation and Analysis of the Infrared Spectra of Diatomic Molecules
Eric D. Glendening and Jarno M. KansanahoJournal of Chemical Education2001 78 (6), 824Spektri-Sim: Interactive Simulation and Analysis of the Infrared Spectra of Diatomic Molecules
Eric D. Glendening and Jarno M. KansanahoJournal of Chemical Education2001 78 (6), 824We have developed Spektri-Sim, a Windows-based software application designed for simulation and analysis of the infrared spectra of diatomic molecules. It offers an appealing alternative to the spreadsheet-based analysis of such spectra used in many ...
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- Received: August 03, 2009
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