DOPANT EFFECT ON PHENALENE BANDGAP CONTROL: A HÜCKEL MOLECULAR ORBITAL PERSPECTIVE

a head parameter survey on mazandarani dialect and its effect(s) on learning english from ca perspective (on the basis of x-bar syntax)1

there has been a gradual shift of focus from the study of rule systems, which have increasingly been regarded as impoverished, … to the study of systems of principles, which appear to occupy a much more central position in determining the character and variety of possible human languages. there is a set of absolute universals, notions and principles existing in ug which do not vary from one ...

Halogen Bonding versus Hydrogen Bonding: A Molecular Orbital Perspective

We have carried out extensive computational analyses of the structure and bonding mechanism in trihalides DX⋅⋅⋅A(-) and the analogous hydrogen-bonded complexes DH⋅⋅⋅A(-) (D, X, A=F, Cl, Br, I) using relativistic density functional theory (DFT) at zeroth-order regular approximation ZORA-BP86/TZ2P. One purpose was to obtain a set of consistent data from which reliable trends in structure and stab...

Theoretical Study of effect ligands on Molecular & Orbital Properties of Cu complexes of industrial dyes formazan

In this research at the first complexes were optimized. NBO calculations and NMR for the complexes were carried out at the B3LYP/6-31G*quantum chemistry level. Different parameters such as energy levels, the amount of Chemical Shift in different atoms, the amount of HOMO/LUMO, chemical potential (µ ), chemical hardness (η), Formazan dyes have become important reactive dyes for cotton. Formazan ...

Orbital Perturbation Effect on LEO Satellite Trajectory

A satellite, in its orbit, is affected by perturbing forces, such as atmospheric drag, solar radiation pressure, Earth oblateness, and gravity of the celestial masses (other than the Earth). In this paper, the effects of these forces on the trajectories of different types of LEO satellites and a sample satellite (Z-SAT) are discussed. A few analyses are done on these orbits and the relevant res...

Halogen Bonding versus Hydrogen Bonding: A Molecular Orbital Perspective Previously appeared as Halogen Bonding versus Hydrogen Bonding: A Molecular Orbital Perspective