Conference paper
Hardness assurance testing for proton direct ionization effects
James R. Schwank, Marty R. Shaneyfelt, et al.
RADECS 2011
The prediction made by high level ab initio theory (MP4/6-311G* //MP2/6-311G*+ZPE) that the prop-2-yl cation prefers a twisted structured with C symmetry is supported by the excellent and unique correspondence of the experimental and individual Gauge for Localized molecular Orbitals (IGLO) calculated 13C n.m.r. chemical shifts for that conformation.
James R. Schwank, Marty R. Shaneyfelt, et al.
RADECS 2011
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AMIA Informatics Summit 2021