𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Validation of Structural Proposals by Substructure Analysis and 13C NMR Chemical Shift Prediction

✍ Scribed by Meiler, J.; Sanli, E.; Junker, J.; Meusinger, R.; Lindel, T.; Will, M.; Maier, W.; Kock, M.


Book ID
120544244
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
111 KB
Volume
42
Category
Article
ISSN
0095-2338

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Structure Validation of Natural Products
✍ Giampaolo Barone; Luigi Gomez-Paloma; Dario Duca; Arturo Silvestri; Raffaele Ric πŸ“‚ Article πŸ“… 2002 πŸ› John Wiley and Sons 🌐 English βš– 178 KB πŸ‘ 1 views

Geometry optimization and GIAO (gauge including atomic orbitals) (13)C NMR chemical shift calculations at Hartree-Fock level, using the 6-31G(d) basis set, are proposed as a tool to be applied in the structural characterization of new organic compounds, thus providing useful support in the interpret

Microcomputer prediction and assessment
✍ Richard Angus Hearmon; Hok-Ming Liu; Simon Laverick; Paul Tayler πŸ“‚ Article πŸ“… 1992 πŸ› John Wiley and Sons 🌐 English βš– 496 KB πŸ‘ 1 views

## Abstract A ^13^C NMR chemical shift prediction and spectral assessment program was written in Turbo Prolog. Based on the large data compendium of Ewing it allows the rapid assessment of the spectral–structural relationship for substituted benzene rings.