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
Qing Li, Zhigang Deng, et al.
IEEE T-MI
C.K. Chow, S.S.M. Wang, et al.
Computers and Biomedical Research
F. James Rohlf
Mathematical Biosciences