We study the phase structure of the abelian Higgs model in three dimensions based on perturbation theory and a set of gauge independent gap equations for Higgs boson and vector boson masses. Contrary to the non-abelian Higgs model, the vector boson mass vanishes in the symmetric phase. In the Higgs phase the gap equations yield masses consistent with perturbation theory. The phase transition is...

This paper is a density functional theory (DFT) calculation of intramolecular proton transfer (IPT) in 6-hydroxypicolinic acid (6HPA, 6-hydroxypyridine-2-carboxylic acid) tautomeric forms. The transition state for the enol-to-keto transition is reported in the gas phase and in four different solvents. The planar and non-planar dimer forms of 6HPA keto and enol, respectively, were also studied i...

Amide-iminol tautomerism was studied for ionized oxamic acid (OA+•) in the gas phase using theDFT method with the UB3LYP functional and various basis sets {6-31++G(d,p), 6-311+G(d,p), and augcc-pVDZ}. Among twenty tautomers-rotamers possible for OA+•, eleven isomers were found to bethermodynamically stable. Similarly as for the neutral molecule, ionization (OA → OA+• + e) favors theamidization ...

Using the Density Functional Theory (DFT) level by means of 3-21G, 6-31G and 6-31+G (d) basissets, the structural optimization of isolated Pyrazole and Pyrazoline was done in the gas phase. Then,the calculation about the solvent effect on the stability energies of Pyrazole and Pyrazoline wasperformed for the ten solvents using PCM model method at B3LYP/6-31+G(d) and then the dielectriceffects o...

glycine, alanine and valine are taken as amino acids with an equal polar head and with thedifference in the length of hydrocarbon chains. the structural optimizations show the results of theisolated glycine, alanine and valine in the gases phase, at the hartree-fock level by means ofsto-3g,3-21g, 6-31g and 6-31+g basis sets. the calculations were performed for the ten (1-10)solvents using pcm m...

The thermodynamic functions such as enthalpy (H), Gibbs free energy (G) and entropy (S) of Serineand Threonine amino acids were theoretically studied at different condition (solvents andtemperatures) by using Gussian o3, software. First, the structural optimization of isolated Serine andThreonine were done in the gas phase by using the Hartree-Fock (HF) level of theory with 3-21G, 6-31G and 6-3...

a sensitive and selective solid phase extraction procedure for the determination of traces of cd(ii),zn(ii) and ag(i) ions has been developed. an alumina-sodium dodecyl sulfate (sds) coated on with2,3 di hydro 2,3 para tolyl qinazoline (1 h)- 4 one (dptqo). the influences of the analyticalparameters including ph and sample volume were investigated. common coexisting ions did notinterfere on the...

abstract   introduction: the purpose of present research was the study of the effect of sensory feedback on speed of the relative phase transition in anti-phase bimanual coordination pattern across old adults. materials and methods: therefore 15 intact male old adults selected in available with age range 60-70 years that were all of them hand-right. participants started their movement on bimanu...

We consider the Ising model with external eld h and coupling constant J on an innnite connected graph G with uniformly bounded degree. We prove that if G is nonamenable, then the Ising model exhibits phase transition for some h 6 = 0 and some J < 1. On the other hand, if G is amenable and quasi{transitive, then phase transition cannot occur for h 6 = 0. In particular, a group is nonamenable if ...