Electron interaction with deoxyribose analogue molecules in gaseous phase

Electron interaction with deoxyribose analogue molecules in gaseous phase

We present recent results on elastic and inelastic low/medium energy electron interaction with tetrahydrofuran, C4H8O, tetrahydrofurfuryl alcohol, C5H10O2 and 3hydroxytetrahydrofuran, C4H8O2 molecules in gaseous phase. A comparative study of both absolute differential cross sections for elastic electron scattering and electron energy loss spectra, in a wide incident electron energy range from 5...

Low-energy electron scattering by deoxyribose and related molecules.

We apply first-principles computational methods to study elastic scattering of low-energy electrons by 2-deoxyribose and 2-deoxyribose monophosphate, which are of interest as components of the DNA backbone, and to tetrahydrofuran (THF), which has been studied as a deoxyribose analog. To investigate the dependence of the scattering process on the molecular conformation, we examine Cs and C2 conf...

One-Electron Relativistic Molecules with Coulomb Interaction

As an approximation to a relativistic one-electron molecule, K we study the operator H = ( A + m Z ) l / E e 2 ~ Z j [ x R j 1 1 with Z ~ 0 , j = l e -z = t37.04. H is bounded below if and only if eZZj < 2/~z, all j. Assuming this condition, the system is unstable when e22Zj> 2/7c in the sense that E o =inf s p e c ( H ) ~ ~ as the R j~0 , all j. We prove that the nuclear Coulomb repulsion more...

INTERACTION OF PROTEINS WITH SMALL MOLECULES

Enhanced electron pairing in a lattice of Berry-phase molecules.

We show that electron hopping in a lattice of molecules possessing a Berry phase naturally leads to pairing. Our building block is a simple molecular site model inspired by C60, but realized in closer similarity with Na3. In the resulting model electron hopping must be accompanied by orbital operators, whose function is to switch on and off the Berry phase as the electron number changes. The ef...