Peter Spackman
0000-0002-6532-8571
University of Western Australia
4 papers found
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Quantum chemical electron impact mass spectrum prediction for de novo structure elucidation: Assessment against experimental reference data and comparison to competitive fragmentation modeling
Intermolecular interactions in molecular crystals: what’s in a name?
Basis set convergence of CCSD(T) equilibrium geometries using a large and diverse set of molecular structures
Estimating the CCSD basis-set limit energy from small basis sets: Basis-set extrapolations vs additivity schemes
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