A generalization of the site-bond percolation problem was studied, in which pairs of neighboring sites (site dimers) and bonds are occupied irreversibly, randomly, and independently on homogeneous square surfaces. A dimer ...

Quality control of structural concrete has been conducted for decades using the axial compression test. The Pull-Out Bond test is suggested here as an alternative to the axial compression test of concrete. Well known and ...

Monte Carlo simulations have been performed to investigate the structure and hydrogen bonds formation in liquid acetaldehyde. An all atom model for the acetaldehyde have been optimized in the present work. Theoretical ...

In this work, a model to explain the unusual stability of atomic lithium clusters in their highest spin multiplicity is presented and used to describe the ferromagnetic bonding of high-spin Li-10 and Li-8 clusters. The ...

The adsorption of cyclopentene (c-C5H8) on Ni(1 1 1) was studied using DFT and semiempirical calculations. Preferred site and geometry calculations were carried out considering a Ni(1 1 1) surface and a unit cell of 64-atoms. ...

We carry out a time-averaged contact matrix study to reveal the existence of protein backbone hydrogen bonds (BHBs) whose net persistence in time differs markedly form their corresponding PDB-reported state. We term such ...

The electronic properties of a chemical model that mimics the His-57 ••• Asp-102 catalytic residues of α-chymotrypsine during the transition from normal hydrogen bond to short and strong hydrogen-bond regimes are presented. ...