F.M. D'Heurle, P. Gas, et al.
Defect and Diffusion Forum
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.
F.M. D'Heurle, P. Gas, et al.
Defect and Diffusion Forum
B.N.J. Persson, J.E. Demuth
Journal of Electron Spectroscopy and Related Phenomena
David C. Spellmeyer, William C. Swope
Perspectives in Drug Discovery and Design
T.L. Fabry, C. Simo, et al.
BBA - Protein Structure