In weakly bound systems like liquids and clusters electronically excited states can relax in inter-particle reactions via the interplay of electronic and nuclear dynamics. Here we report on the identification of two prominent examples, interatomic Coulombic decay (ICD) and radiative charge transfer (RCT), which are induced in argon dimers by electron collisions. After initial ionization of one ...

this study is about complexes of li doped silicon carbide nanotube with thymine and cytosine ingas phase and aqueous solutions. li doped silicon carbide nanotube and its pyrimidine nucleobasecompounds were first modeled by quantum mechanical calculations in gas phase and in water.calculated binding energies indicated the stronger ability of thymine to functionalize silicon carbidenanotube than ...

We apply a generalized numerical transfer-matrix method to the two-dimensional Ising ferromagnet in a nonzero field to obtain complex constrained free energies. Below T c certain eigenstates of the transfer matrix are identified as representing a metastable phase. The imaginary parts of the metastable constrained free energies are found to agree with a field-theoretical droplet model for a wide...

Room temperature ionic liquids, which have unique properties such as a relatively wide electrochemical stability window and negligible vapor pressure, are promising candidates as electrolytes for developing lithium−air batteries with enhanced performance. The local current density, a crucial parameter in determining the performance of lithium−air batteries, is directly proportional to the rate ...

A time-dependent approach to the interpretation of resonance Raman scattering intensities has been used to obtain quantitative vibrational mode displacement information from scattering intensities associated with charge-transfer excitation. The displacements and associated frequencies are the key parameters needed to understand Franck-Condon effects in electron-transfer kinetics, and to delinea...

exfoliated poly (chloromethyl styrene-co-styrene)-g-polyacrylonitryle/organo- modified montmorillonite [p(cmst-co-st)-g-pan/o-mmt] nanocomposite was synthesized through solution intercalation method by using atom transfer and nitroxide mediated radical polymerization. at first, poly (chloromethyl styrene-costyrene) copolymer was synthesized by nitroxide - mediated “living” free radical polyme...

Stability of the π-π stacking interactions in the Ben||N-substituted-coronene complexes was studied using the computational quantum chemistry methods (where Ben is benzene and || denotes π-π stacking interaction, and N-substituted-coronene is coronene molecule which substituted with different number of N atoms). The results reveal simultaneous effects of structure and number of Heteroatom on th...