Interacting RNA complexes are studied via bicellular maps using a filtration via their topological genus. Our main result is a new bijection for RNA-RNA interaction structures and linear time uniform sampling algorithm for RNA complexes of fixed topological genus. The bijection allows to either reduce the topological genus of a bicellular map directly, or to lose connectivity by decomposing the...

The electronic structure of boron-hydrogen complex and boron pair in diamond are studied by first-principles density-functional calculations with supercell models. The electronic structure calculated for the B-H complexes with C2v or C3v symmetry and the nearest-neighbor B pair is used to interpret recent experimental results such as B 1s x-ray photoemission spectroscopy, 11B nuclear quadruple ...

We associate an exact sequence involving the cohomology groups of a pair of differential complexes to any pair (N , T ) where N is a closed connected smooth manifold and T a real nowhere vanishing smooth vector field on N that admits an invariant metric. The orbits of T need not be closed. The sequence is a natural generalization of the classical Gysin sequence (for circle bundles) in real coho...

Halogen photoelimination is a critical step in HX-splitting photocatalysis. Herein, we report the photoreduction of a pair of valence-isomeric dirhodium phosphazane complexes, and suggest that a common intermediate is accessed in the photochemistry of both mixed-valent and valence-symmetric complexes. The results of these investigations suggest that halogen photoelimination proceeds by two sequ...

Pb complexes can attain several different topologies, depending of the shape of the Pb 6s6p lone pair. In this paper, we study structures with a bisdirected Pb lone pair with quantum mechanics (DFT) and QM/MM calculations. We study small symmetric Pb models to see what factors are needed to get a bisdirected lone pair. Two important mechanisms have been found: First, the repulsion of the lone p...

Pb(2+) complexes can attain several different topologies, depending of the shape of the Pb 6s6p lone pair. In this paper, we study structures with a bisdirected Pb lone pair with quantum mechanics (DFT) and QM/MM calculations. We study small symmetric Pb(2+) models to see what factors are needed to get a bisdirected lone pair. Two important mechanisms have been found: First, the repulsion of th...

The article presents the analysis of ArICl(IP,vIP,nIP) population and decay at energies lower than ArICl(E,vE = 0,nE) dissociation limit (IP E0+, D?2, ?1), vIP 0, 1, nIP are quantum numbers van der Waals (vdW) modes). It shows that lifetimes determined spectral ranges where ArICl(E?X, D??A?, ??A) luminescence takes place, same, ? 20.3 ± 1.0 ns, i.e. strongly mixed complex states populated in Ar...