We study the excitation spectrum and ground-state properties of the two-leg S5 1 2 quantum spin ladder with staggered dimerization. Two massive phases separated by a critical line are found, as predicted by previous analysis, based on the nonlinear sigma model. We have used dimer series expansions, exact diagonalization of small clusters, and diagrammatic analysis of an effective interacting Bo...

Dihalocarbenes add regioselectively to aryl-substituted benzocyclopropenes to produce dihalobenzocyclobutenes. The regioselectivity of addition is not due to steric effects but depends on the electronic donor or acceptor ability of the substituent. B3LYP/6-31G* calculations show preferential :CCl2 addition to substituted benzocyclopropene through electrophilic attack on the benzocyclopropene pi...

We study the excitation spectrum and ground state properties of the two-leg S = 1 2 quantum spin ladder with staggered dimerization. Two massive phases, separated by a critical line are found, as predicted by previous analysis , based on the non-linear sigma model (NLSM). We have used dimer series expansions, exact diagonalization of small clusters and diagrammatic analysis of an effective inte...

The layered lithium borocarbide LiBC, isovalent with and structurally similar to the superconductor MgB2, is an insulator due to the modulation within the hexagonal layers (BC vs B2). We show that hole doping of LiBC results in Fermi surfaces of B-C p sigma character that couple very strongly to B-C bond stretching modes, precisely the features that lead to superconductivity at T(c) approximate...

given a graph $g$, let $g^sigma$ be an oriented graph of $g$ with the orientation $sigma$ and skew-adjacency matrix $s(g^sigma)$. then the spectrum of $s(g^sigma)$ consisting of all the eigenvalues of $s(g^sigma)$ is called the skew-spectrum of $g^sigma$, denoted by $sp(g^sigma)$. the skew energy of the oriented graph $g^sigma$, denoted by $mathcal{e}_s(g^sigma)$, is defined as the sum of the n...

Let $R$ be a ring, $sigma$ be an endomorphism of $R$ and $M_R$ be a $sigma$-rigid module. A module $M_R$ is called quasi-Baer if the right annihilator of a principal submodule of $R$ is generated by an idempotent. It is shown that an $R$-module $M_R$ is a quasi-Baer module if and only if $M[[x]]$ is a quasi-Baer module over the skew power series ring $R[[x,sigma]]$.

Aromatic amines are important intermediates in industrial manufacturing. N-Oxidation to N-hydroxyarylamines is a key step in determining the genotoxic properties of aromatic amines. N-Hydroxyarylamines can form adducts with DNA, with tissue proteins, and with the blood proteins albumin and hemoglobin in a dose-dependent manner. The determination of hemoglobin adducts is a useful tool for biomon...