Hobbs, R. HAir Force Office of Scientific ResearchWright, L. AMichels H., Hobbs R.H. and Wright L.A. (1978) `Electronic structure of the noble gas dimer ions. I. Potential energy curves and spectroscopic constants', Journal of Chemical Physics, Vol.69 : pp 5151-5162....
A review of investigations of the electronic structure and dynamics of A@C60 is presented in this manuscript focusing on developments in the last decade. Addressed mainly are how the confinement affects electronic structure properties such as ionization potentials, localization of atomic electrons, ...
Electronic structure calculations by ab initio techniques enable us to determine quantities inaccessible to experiments because of either the too-small length scale or the impossibility in isolating the contribution of a given factor to the studied physical properties (see Chapter 1.08, Ab Initio Electro...
To determine the structure of the compound XeO3, we will follow these steps:Step 1: Identify the Central Atom In XeO3, xenon (Xe) is the central atom.Step 2: Determine the Valence Electrons Xenon is a no
The elastic constants,electronic structure and optical properties of solid krypton are investigated by first-principles plane-wave pseudo-potential method in the scheme of density functional theory within local density approximation and generalized gradient approximation.The calculated elastic constants under pr...
Electronic structure and properties of superheavy elements 2014, Nuclear Physics A Show abstract Pioneering experiments on the chemical properties of element 113 2014, Mendeleev Communications Show abstract Advances in the production and chemistry of the heaviest elements 2013, Chemical Reviews Relativistic ...
As with CNTs, the electronic structure of graphene is most easily discussed as applicable to pure, defect-free graphene first, then conditionally extendable to “imperfect” (as-produced) graphene. Additionally, in the case of graphene, discussion of the electronic structure of bilayer and few-laye...
It is believed that the narrowing of d-band width is a general trend in alloys. To avoid confusion, we should stress that changes in electronic structure that are caused by post-fabrication modifications such as exposure to reactive gases, anneal- ing or other intentional surface modification ...
Because their electrical structure is comparable to that of the nearest noble gas, atoms with eight e-in their valence shell have filled outermost orbitals and are hence the most stable. 4. What atoms can sustain valence electron counts of less than eight?
Ferromagnetic Ni3LiC was studied for the mechanical properties and strain effects on its electronic structure [20]. In the recent past, M3XN (M = Co; and X is one of the elements from Li to Bi except noble gases and 4f rare-earth metals) antiperovskites were predicted to be stable ...