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Ab initio
characterization of the structure and energetics of the ArHF complex
Tanja Van Mourik
, Thom H. Dunning, Jr.
School of Chemistry
EaSTCHEM
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Ab initio
characterization of the structure and energetics of the ArHF complex'. Together they form a unique fingerprint.
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Chemistry
Energetics
100%
Møller-Plesset Perturbation Theory
100%
CCSD
83%
Transition State
33%
Potential Energy Surface
16%
Coupled Cluster
16%