Skip to main content
eScholarship
Open Access Publications from the University of California

UC Santa Barbara

UC Santa Barbara Previously Published Works bannerUC Santa Barbara

The Application of Computational Chemistry to Problems in Mass Spectrometry

  • Author(s): Aue, Donald
  • Betowski, Don
  • et al.

Published Web Location

http://www.spectroscopyonline.com/application-computational-chemistry-problems-mass-spectrometry
No data is associated with this publication.
Abstract

With computational chemistry, chemists can now study chemical phenomena by performing computationally intense calculations on computers rather than examining reactions and compounds experimentally. This is especially attractive when the laboratory experiments are time consuming, costly, dangerous, or difficult. Modern computational chemistry tools are capable of determining molecular structures, molecular spectra, and energetics, and of elucidating reaction pathways and chemical reaction products.

Many UC-authored scholarly publications are freely available on this site because of the UC's open access policies. Let us know how this access is important for you.

Item not freely available? Link broken?
Report a problem accessing this item