Anharmonic effects of the absorption and fluorescence spectra of pyridine molecule are studied and analyzed for the two-low lying singlet excited states S(1)((1)B(1)) and S(2)((1)B(2)). The complete active space self-consistent field (CASSCF) method is utilized to compute equilibrium geometries and all 27 vibrational normal-mode frequencies for the ground state and the two excited states. The p...

Infrared multiple photon dissociation (IRMPD) spectroscopy is used to identify the structure of the b(2)(+) ion generated from protonated tri-alanine by collision induced dissociation (CID). The IRMPD spectrum of b(2)(+) differs markedly from that of protonated cyclo-alanine-alanine, demonstrating that the product is not a diketopiperazine. Instead, comparison of the IRMPD spectrum of b(2)(+) t...

We consider the mass spectrum of the 3d 3-state Potts model in the broken phase (a) near the second order Ising critical point in the temperature magnetic field plane and (b) near the weakly first order transition point at zero magnetic field. In the case (a), we compare the mass spectrum with the prediction from universality of mass ratios in the 3d Ising class; in the case (b), we determine a...

Stimulation period Fig.1 A representative 7T proton spectrum from a single subject:(A) averaged spectrum acquired at rest; (B) averaged spectrum acquired during stimulation; (C) difference between (A) and (B). The peaks seen at 2.01, 2.10, 2.35 and 3.03ppm in the difference spectrum are attributed to linewidth changes due to the BOLD effect as well as concentration changes of metabolites. (D) s...

We give a new proof of a version of Klein's theorem on the existence of absolutely continuous spectrum for the Anderson model on the Bethe Lattice at weak disorder. It is widely believed that the Anderson model [An] should exhibit absolutely continuous spectrum at weak disorder in dimensions three and higher. But it is only for the Bethe lattice B, or Cayley tree, that this has been established...