Assessing collision cross section calculations using MobCal-MPI with a variety of commonly used computational methods
Christian Ieritano, W. Scott Hopkins
Topics & Concepts
Basis setBenchmarkingComputer scienceBasis (linear algebra)Computational chemistryMaterials scienceChemistryDensity functional theoryMathematicsGeometryBusinessMarketingMass Spectrometry Techniques and ApplicationsAnalytical Chemistry and ChromatographyAnalytical chemistry methods development