๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Theoretical studies of interstellar isomers

โœ Scribed by D. J. DeFrees; A. D. McLean

Book ID
105568404
Publisher
Springer Netherlands
Year
1986
Tongue
English
Weight
127 KB
Volume
16
Category
Article
ISSN
1573-0875

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Theoretical studies of selected C60H2 an
Theoretical studies of selected C60H2 and C70H2 isomers
โœ Craig C. Henderson; Celeste McMichael Rohlfing; Paul A. Cahill ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 467 KB

Semi-empirical UNDO methods predict that 2 of 23 structurally distinct C6& isomers and 4 of 143 C7uH2 isomers have particularly low heats of formation. These isomers represent either 1 ,t-addition across a 6: 6-ring fusion or 1,4-addition across a ii-ring, with both hydrogens externally bound. Fully

A theoretical study of HClO3 isomers
A theoretical study of HClO3 isomers
โœ Celeste M. Rohlfing ๐Ÿ“‚ Article ๐Ÿ“… 1995 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 394 KB

Ab initio quantum chemical calculations on normal and hypervalent structures of the HC10 3 species have been performed. Four minima were located at the MP2/6-31G(d) level, after many connectivities were investigated. Geometries and frequencies were determined at the QCISD/6-311G(2d, 2p) level. Singl

Theoretical and experimental NMR study o
Theoretical and experimental NMR study of protopine hydrochloride isomers
โœ Jaromรญr Touลกek; Kateล™ina Maliลˆรกkovรก; Jiล™รญ Dostรกl; Radek Marek ๐Ÿ“‚ Article ๐Ÿ“… 2005 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 107 KB

## Abstract The ^1^H and ^13^C NMR chemical shifts of __cis__โ€ and __trans__โ€protopinium salts were measured and calculated. The calculations of the chemical shifts consisted of conformational analysis, geometry optimization (RHF/6โ€“31G\*\* method) and shielding constants calculations (B3LYP/6โ€“31G\*