It is demonstrated that there is a direct connection between aromaticity and the anisotropy of the π-electron density on planes parallel to the molecular ring. The electron density anisotropy on the plane is measured through the ratio of the in-plane Hessian eigenvalues associated with the eigenvectors lying in the plane. Computations on a wide-ranging set of well-characterized monocyclic syste...

in the crystal structure of the title polymeric compound, [c42h38n6o33sr5.2(h2o)]n, five independent metal atoms (sr1-sr5) have different coordination environments. the sr1 and sr5 atoms are nine coordinated and feature distorted tricapped trigonal-prismatic and capped square-antiprismatic geometries, respectively. the rest srii atoms have eight coordination numbers. these units are connected v...

Ultrafast carrier relaxation dynamics in fluorescent carbon nanodots is investigated by femtosecond transient absorption spectra at different pH environments so as to understand the mechanism of fluorescence for the first time. Utilizing multi-wavelength global analysis to fit the measured signal via a sequential model, four different relaxation channels are found, which are attributed to elect...

This report examines the molecular mechanism by which high-fidelity DNA polymerases select nucleotides during the replication of an abasic site, a non-instructional DNA lesion. This was accomplished by synthesizing several unique 5-substituted indolyl 2'-deoxyribose triphosphates and defining their kinetic parameters for incorporation opposite an abasic site to interrogate the contributions of ...

I describe a few recent electron-cloud simulations for KEKB and the ATF. For KEKB the dependence of the electron build up on the peak solenoid field is studied, for the ATF the minimum bunch population required to build up an electron cloud in a possible future positron operation.

Electron attachment to double-stranded cytosine-rich DNA, dCpdC:dGpdG, has been studied by density functional theory. This system represents a minimal descriptive unit of a cytosine-rich double-stranded DNA helix. A significant electron affinity for the formation of a cytosine-centered radical anion is revealed to be about 2.2 eV. The excess electron may reside on the nucleobase at the 5' posit...

081002-1 The interaction between a low-density electron cloud in a circular particle accelerator with a circulating charged particle beam is considered. The particle beam’s space charge attracts the cloud, enhancing the cloud density near the beam axis. It is shown that this enhanced charge and the image charges associated with the cloud charge and the conducting wall of the accelerator may hav...