The polarizability of a nanostructure is an important parameter that determines the optical properties. An exact semi-analytical solution of the electrostatic polarizability of a general geometry consisting of two segments forming a cylinder that can be arbitrarily buried in a substrate is derived using bipolar coordinates, cosine-, and sine-transformations. Based on the presented expressions, ...

Polarizability is a key molecular property controlling induction and dispersion forces in molecules, and atomic polarizabilities in molecules are widely used elements both in qualitative schemes for understanding molecular interactions and in quantitative methods for modeling them. Unfortunately, experimental probes of local polarizability are not readily available. Here we predict the polariza...

Substituted Benzoquinones, Photosystem II Acceptors Benzoquinones (BQ) substituted with alkyl or alkoxy groups 2,5-dimethoxy-3,6-dichloro-/>benzoquinone (DCDMQ), 2,3,5,6-tetramethoxy-/?-benzoquinone (TMQ) have been tested for their electron affinity and site of action in the photosynthetic electron transport chain in whole cells and chloroplasts. Both the substituted compounds were found to be ...

In the current report, interaction of Al-doped carbon nanotubes (CNT) with carbazochrome, an anti-hemorrhagic or hemostatic agent, was investigated M06-2X functional and 6-31G* basis set. The global index including frontier molecular orbital energies, hardness, softness, chemical Gibbs energies some parameters NLO properties Carbazochrome, Al doped CNT complexes formed between their were calcul...

Relativistic Density Functional Theory (DFT) based methods coupled with the Conductor-like Screening Model (COSMO) for a realistic solvation approach are used to investigate the electron affinity (EA) of a series of triscyclopentadienyl uranium complexes Cp(3)UX (X = Cl, BH(4), SPh, S(i)Pr and O(i)Pr) related to the U(iv)/U(iii) redox system. E(1/2) half-wave potentials have been measured in so...

We calculate the electronic polarizability in the superconducting state at nesting vectors of the Fermi surface. A pole appears in the polarizability at frequencies ω near the superconducting gap 2∆ for arbitrary small couplings in two dimensions. This leads to the appearance of a sharp peak at ω just below 2∆ in the lattice vibrations at the nesting vectors. The results are compared with the r...