Leonard Dervishi, Xinyue Wang, et al.
NDSS 2023
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.
Leonard Dervishi, Xinyue Wang, et al.
NDSS 2023
D.A. Shirley, Yu Zheng, et al.
Journal of Electron Spectroscopy and Related Phenomena
Alexandre Andrade Loch, Ana Caroline Lopes-Rocha, et al.
JMIR Mental Health
H. Stahl, J. Appenzeller, et al.
Materials Science and Engineering C