34,556 research outputs found
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 -Models and their Gauging in the Atiyah-Ward Space-Time
We present a supersymmetric non-linear \s-model built up in the
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
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