September 01, 2010

Here, we continue our treatment of symmetry and group theory by introducing a very useful mathematical tool in group theory. It has two names in common use, but thankfully they both have the same acronym: GOT.

June 01, 2010

The authors continue their discussion of the classical least squares approach to calibration.

May 01, 2010

In this month's installment of "Chemometrics in Spectroscopy," the authors begin a new subseries with the goal of explaining the classical least squares algorithm.

April 01, 2010

In the third part of this series, David Ball starts getting into the mathematical aspects of group theory, aspects that ultimately become useful in spectroscopy.

January 01, 2010

In the previous installment of this column, David Ball introduced the five types of symmetry elements that are important in physical science. Here, he discuss why it’s called "group" theory in the first place.

December 01, 2009

Group theory is the field of mathematics that includes, among other things, the treatment of symmetry. Well, it turns out that molecules have symmetry, so group theoretical principles can be applied to molecules. Because spectroscopy uses light to probe the properties of molecules, it might not be surprising that group theory has some application to spectroscopy. Here, we start a multipart discussion of symmetry and group theory.

October 01, 2008

In this tutorial, the authors explain how naturally occurring stable isotopes contribute to experimentally determined mass spectra and how this information can be exploited in quantitative experiments, structural elucidation studies, and tracer methodologies. The first installment of this series focuses on the theoretical aspects of stable isotopes and the calculation of their distribution patterns.