Understanding thio-effects in simple phosphoryl systems : role of solvent effects and nucleophile charge.

Recent experimental work (J. Org. Chem., 2012, 77, 5829) demonstrated pronounced differences in measured thio-effects for the hydrolysis of (thio)phosphodichloridates by water and hydroxide nucleophiles. In the present work, we have performed detailed quantum chemical calculations of these reactions, with the aim of rationalizing the molecular bases for this discrimination. The calculations highlight the interplay between nucleophile charge and transition state solvation in SN2(P) mechanisms as the basis of these differences, rather than a change in mechanism

Non-Linear Supersymmetric σ\sigma -Models and their Gauging in the Atiyah-Ward Space-Time

We present a supersymmetric non-linear \s-model built up in the $N=1$ superspace of Atiyah-Ward space-time. A manifold of the K\"ahler type comes out that is restricted by a particular decomposition of the K\"ahler potential. The gauging of the \s-model isometries is also accomplished in superspace.Comment: 15 pages, Latex, no figure

Geometric Phase for Fermionic Quasiparticles Scattering by Disgyration in Superfluids

We consider a Volovik's analog model for description of a topological defects in a superfluid and we investigate the scattering of quasiparticles in this background. The analog of the gravitational Aharonov-Bohm in this system is found. An analysis of this problem employing loop variables is considered and corroborates for the existence of the Aharonov-Bohm effect in this system. The results presented here may be used to study the Aharonov-Bohm effect in superconductors.Comment: 7 pages, to appear in Europhys. Let

BRS Cohomology of Zero Curvature Systems II. The Noncomplete Ladder Case

The Yang-Mills type theories and their BRS cohomology are analysed within the zero curvature formalism.Comment: 14 pages, latex, no figures, latex improve