The viewing of this problem is the key moment in the theory of a chemical bond. I convert attention of the reader that the material enunciated in this chapter, completely is property of new physics (chemistry). The official science in the theory of a chemical bond prolongs to be carried with electronic "clouds", however, terming them already by "orbitals". The interaction of atoms is explained ...

Hardness is too complex to be described by first principles. Based on the dielectric chemical bond theory, a semiempirical approach for the evaluation of the hardness of ionic oxide crystals has been proposed. It was applied to predict the hardness of complex crystals such as the optical crystals yttrium aluminum garnet, the LaMgAl11O19 aluminates, and the high-Tc superconductor YBa2Cu3O7. The ...

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...

Solid ionic conductors are actively sought for their potential application in electrochemical devices, particularly lithium batteries. We have found high ionic conductivity for a large variety of salts dissolved in the highly polar medium based on the plastic-crystal form of succinonitrile (N[triple bond]C[bond]CH(2)[bond]CH(2)[bond]C[triple bond]N). Its high diffusivity, plasticity and solvati...

Ionic liquids (IL) and hydrogen bonding (H-bonding) are two diverse fields for which there is a developing recognition of significant overlap. Doubly ionic H-bonds occur when a H-bond forms between a cation and anion, and are a key feature of ILs. Doubly ionic H-bonds represent a wide area of H-bonding which has yet to be fully recognised, characterised or explored. H-bonds in ILs (both protic ...

Sensor node deployment is one of the critical topics addressed in wireless sensor networks (WSNs) research, which determines coverage efficiency of WSNs. This paper proposes a self-organizing algorithm for enhancing the coverage for WSNs, which is so-called Ionic bond-directed particle swarm optimization (IBPSO). The proposed algorithm combines the ionic bond method with particle swarm optimiza...

Room temperature ionic liquids (ILs), especially protic ionic liquids (PILs), are used in many areas of the chemical sciences. Ionicity, the extent of proton transfer, is a key parameter which determines many physicochemical properties and in turn the suitability of PILs for various applications. The spectrum of computational chemistry techniques applied to investigate ionic liquids includes cl...

For 39 diatomic ionic and non-ionic molecules, the anomalous behaviour of the spectral parameters a e and wexe with respect to the bond type is reviewed. It is shown that on using a "universal" Sutherland parameter defined as A = ^kerc2/Dion, the anomalous behaviour disappears. Hard spectroscopic evidence is thus presented, for the first time to the author's knowledge, that just one bond type, ...