Conceiving a molecule as being composed of smaller molecular fragments, or subunits, is one of the pillars of the chemical and physical sciences and leads to productive methods in quantum chemistry. Using a fragmentation scheme, efficient algorithms can be proposed to address problems in the description of chemical bond formation and breaking. We present a formally exact time-dependent density ...

This paper suggests a new way of predicting the likelihood of a corporate bond being callable. We compute the probability that a bond, if callable, would actually be called within a certain period. We also hypothesize a positive relationship between this probability and the likelihood of the bond being issued with a call feature. Comparative static results yield the following empirical implicat...

EXPERIMENTAL AND THEORETICAL STUDIES OF BINDING INTERACTIONSIN DIVALENT TRANSITION METAL CATION-N-DONOR LIGANDCOMPLEXES: STRUCTURES, SEQUENTIAL BOND DISSOCIATION ENERGIES,MECHANISMS AND ENERGETICS OF COLLISION-INDUCED DISSOCIATION

Background and Aim: Preparation of tooth structure by laser systems produces a surface with different characteristics. Therefore, selecting an appropriate bonding system is necessary to achieve the maximum bond strength. The aim of this study was to compare the bond strength of Adper Single Bond 2 adhesive and Single Bond Univer-sal to dentin prepared by bur or laser. Materials and Methods: ...

We present a double site-bond percolation model to account, on the one hand, for the vascularization and/or resorption of biomaterial implant in bones and, on the other hand, for its mechanical continuity. The transformation of the implant into osseous material, and the dynamical formation/destruction of this osseous material is accounted for by creation and destruction of links and sites in tw...

The nature of chemical bonds on dynamic paths was investigated using the complete active space valence-bond (CASVB) method and the Born-Oppenheimer dynamics. To extract the chemical bond picture during reactions, a scheme to collect contributions from several VB (resonance) structures into a small numbers of indices was introduced. In this scheme, a tree diagram for the VB structures is constru...

Atomic structures, energies, and stress distributions of symmetrical ^011& tilt grain boundaries ~GB’s! and selected GB triple junctions ~TJ’s! in diamond as well as a multiply twinned diamond particle have been calculated using an analytic bond order potential function. In general, energies of ^011& tilt GB’s are about 1 J/m lower than those for ^001& tilt GB’s calculated with the same analyti...

A molecule is formed by the combination of atoms and in the process they attain the electronic configuration of an inert gas. A chemical bond is formed as a result of attraction between the combining atoms. To explain the formation of bonds in diatomic molecules, such as H2, O2, N2, Cl2 etc., it was first suggested by G.N. Lewis that atoms of such molecules attain an inert gas electronic config...