In this study, the adsorption of 4-hydroxy phenyl-azobenzene on the surface of (4, 0) zigzag open-end boron nitride nanotube (BNNT) has been investigated by quantum calculations. In order to find the preferred adsorption site, different positions and orientations were considered. The impacts of donor-acceptor electron delocalization on the structural and electronic properties and reactivity of ...

The title mol-ecule, C(8)H(6)BrNS(2), is almost planar with a dihedral angle of 0.9 (1)° between the benzene and thia-zole rings. The values of the geometry-based index of aromaticity (HOMA) and the nucleus-independent chemical shift (NICS) for the two cyclic fragments of the title mol-ecule are 0.95 and -9.61, respectively, for the benzene ring, and 0.69 and -7.71, respectively, for the thia-z...

We present a theory for the localization of three-dimensional vortex lines or two-dimensional bosons with a short-ranged repulsive interaction which are competing for a single columnar defect or potential well. For two vortices we use a necklace model approach to find a new kind of delocalization transition between two different states with a single bound particle. This exchange-delocalization ...

in the present work, the structural and electronic properties, and conductivity of (5,5) and (6,6) single walled carbon nanotubes in the ground state have done by using the hartree-fock and density functional theory dft-b3lyp/6-31g* level. delocalization of charge density between the bonding or lone pair and antibonding orbitals calculated by nbo (natural bond orbital) analysis. these methods a...

We investigate disordered one- and two-dimensional Heisenberg spin lattices across the transition from integrability to quantum chaos from both statistical many-body and quantum-information perspectives. Special emphasis is devoted to quantitatively exploring the interplay between eigenvector statistics, delocalization, and entanglement in the presence of nontrivial symmetries. The implication ...

An n→π* interaction stems from the delocalization of the electron pair (n) of a donor group into the antibonding orbital (π*) of a carbonyl group. Crystallographic analyses of five pairs of diastereoisomers demonstrate that an n→π* interaction can induce chirality in an otherwise planar, prochiral carbonyl group. Thus, a subtle delocalization of electrons can have stereochemical consequences.

We use random–matrix theory and supersymmetry techniques to work out the two– point correlation function between states in a hierarchical model which employs Feshbach’s chaining hypothesis: Classes of many–body states are introduced. Only states within the same or neighboring classes are coupled. We assume that the density of states per class grows monotonically with class index. The problem is...

Session 1 Moderator: Dr. Gregory Berkolaiko 10:20 10:40 Eleanor Anthony: Estimating Amoebae of Polynomials Using Archimedean Tropical Varieties 10:45 11:05 Sheridan Grant: Algorithm for Estimating Amoebae of Polynomials Using Archimedean Tropical Varieties 15 minute break 11:20 11:40 Westin King: Anderson Delocalization on the Three Dimensional Lattice 11:45 12:05 Amanda Hoisington: Anderson De...