Hartree-Fock (HF) and Density Functional Theory (DFT) methods employed to study the effect of conformational change on the 13C chemical shifts of 6-mono axial and equatorial substituted and 6,7-di axial-axial, equatorial-equatorial and axial-equatorial substitutedderivatives of 5,6,7,8-tetrahydrodibenzo[a,c]cyclo-octene. The geometry of the conformers have been optimized...

In this work we study the diamagnetic properties of a perfect quantum gas in the presence of a constant magnetic field of intensity B. We investigate the Gibbs semigroup associated to the one particle operator at finite volume, and study its Taylor series with respect to the field parameter ω := eB/c in different topologies. This allows us to prove the existence of the thermodynamic limit for t...

An approximate value of the diamagnetic anisotropy of the tubulin dimer, Δχ dimer, has been determined assuming axial symmetry and that only the α -helices and β -sheets contribute to the anisotropy. Two approaches have been utilized: (a) using the value for the Δχ α for an α -helical peptide bond given by Pauling (1979) and (b) using the previously determined anisotropy of fibrinogen as a cali...

Orbital magnetism in an integrable model of a multichannel ring with long-ranged electron-electron interactions is investigated. In a noninteracting multichannel system, the response to an external magnetic flux is the sum of many diamagnetic and paramagnetic contributions, but we find that for sufficiently strong correlations, the contributions of all channels add constructively, leading to a ...

Single-ion magnet properties are improved by embedding in a non-isostructural diamagnetic host lattice.