The study of electron clouds in high-intensity storage rings remains an important area of R&D 30 years after the first observations were made. The list of cloud-induced effects continues to grow as new observations are reported. Data from dedicated electron cloud diagnostics, used in combination with standard beam diagnostics, have contributed to a better understanding of the physics of the ele...

Novel DNA base pair derivatives (A2CunU, A2CunC, G3CunU, and G3CunC) are designed by aromatic expansion of pyrimidine bases with four kinds of hetero-rings (denoted by nC and nU, n = 1, 2, 3, and 4) and metal-decoration through Cu replacement of hydrogens in the Watson-Crick hydrogen bond region. Their structures and properties are calculated for examining the cooperative effects of the two mod...

Emitting organic molecules can find application in Light-Emitting Diodes and as Biosensors. The new generation of emitters are full conjugated exhibiting conformational freedom that gain emission intensity when accumulate. We synthesized tetraphenyl fulvene (TPF) derivatives by connecting the phenyl rings 3 4 with electron donor groups carbon 6 two electron-withdrawing groups. analyzed optical ...

Scalar fields provide an intuitive picture of chemical bonding. In particular, the electron localization function (ELF) has proven to be highly valuable in interpreting a broad range of bonding patterns. The discrimination between enhanced or reduced electron (de)localization within cyclic π-conjugated systems remains, however, challenging for ELF. In order to clearly distinguish between the lo...

Cross sections of inelastic light scattering accompanied by vibronic excitation in large conjugated carbon structures is assessed at the π-electron level. Intensities of Raman and vibrational Raman optical activity (VROA) spectra of fullerenes are computed, relying on a single electron per atom. When considering only first neighbor terms in the Hamiltonian (a tight-binding (TB) type or Hückel-m...

I summarize the overview talk by M. Furman on ‘electron-cloud simulation codes’ and the subsequent electron-cloud panel discussion in Session 6 of the HHH2004 workshop.

M06-2X functional was employed to study halogen-π interactions in X-C2-Y…C8H8 complexes (X, Y=H, F, Cl, and Br). In fact, interactions of mono- or di-halogenated acetylenes and planar cyclooctatetraene as an anti-aromatic π system were considered. Relationship between binding energies of the complexes and charge transfer effects was investigated. Also, electronic charge density values were calc...