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Methylamines basicity calculations: in vacuo and in solution comparative analysis

โœ Scribed by Tunon, Inaki; Silla, Estanislao; Tomasi, Jacopo

Book ID
121489520
Publisher
American Chemical Society
Year
1992
Tongue
English
Weight
788 KB
Volume
96
Category
Article
ISSN
0022-3654

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๐Ÿ“œ SIMILAR VOLUMES

Calculation of the relative basicities o
Calculation of the relative basicities of methylamines in solution
โœ J.L. Pascual-Ahuir; J. Andres; E. Silla ๐Ÿ“‚ Article ๐Ÿ“… 1990 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 306 KB

The relative basicities in solution ofthe methylamines have been calculated using the model of Miertus, Scrocco and Tomasi to describe the solvent effect. The surface of the cavity is defined with the GEPOL method. The ab initio calculations have been performed using a 4-31G basis set. The relative

Solution structure of phalloidin obtaine
Solution structure of phalloidin obtained by NMR spectroscopy in [D6]DMSO and molecular dynamics calculation in vacuo and in water
โœ Kessler, Horst ;Wein, Thomas ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 628 KB

## Abstract Homoโ€ and heteronuclear NMR techniques have been used to assign all proton and most of the carbon resonances of phalloidin (1) [cyclic(Lโ€alanylโ€Dโ€threonylโ€Lโ€cysteinylโ€cisโ€4โ€hydroxyโ€Lโ€prolylโ€Lโ€alanylโ€Lโ€mercaptoโ€Lโ€tryptophylโ€4,5โ€dihydroxyโ€Lโ€leucyl) cyclic (3โ†’6) sulfide], a toxic bicyclic