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Theory and experiment in mass spectrometry: a perspective on the relationship
between computational modelling and experiment in gas-phase ion chemistry Einar Uggerud
Department of Chemistry, University of Oslo, PO Box 1033
Blindern, N-0315 Oslo, Norway. einar.uggerud@kjemi.uio.no
ABSTRACT:
In this lecture/paper we will discuss the somewhat complicated relationship between theory and experiment in
molecular science in general and mass spectrometry in particular, illustrated by some recent literature examples.
Keywords:
computational chemistry, quantum chemistry, mass
spectrometry, ion chemistry, kinetics, mechanism
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