نتایج جستجو برای: π electron delocalization
تعداد نتایج: 340883 فیلتر نتایج به سال:
Recent literatures reported blue-green emission from amyloid fibril as exclusive signature of fibril formation. This unusual visible luminescence is regularly used to monitor fibril growth. Blue-green emission has also been observed in crystalline protein and in solution. However, the origin of this emission is not known exactly. Our spectroscopic study of serum proteins reveals that the blue-g...
This paper examines five different models of electron thermal transport in laser produced spherical implosions. These are classical, classical with a flux limit f , delocalization, beam deposition model, and Fokker-Planck solutions. In small targets, the results are strongly dependent of f for flux limit models, with small f ’s generating very steep temperature gradients. Delocalization models ...
The quark delocalization and color screening model, a quark potential model, is used for a systematic search of dibaryon candidates in the u, d and s three flavor world. Color screening which appears in unquenched lattice gauge calculations and quark delocalization (which is similar to electron delocalization in molecular physics) are both included. Flavor symmetry breaking and channel coupling...
Intramolecular dimer radical anions of [3n]cyclophanes generated by gamma-ray irradiation in low-temperature glassy matrices showed an absorption band attributable to charge resonance around 936-1210 nm, from which the stabilization energy of the dimer radical anions were analyzed on the basis of pi-electron delocalization over two benzene rings and the damping factor (beta) was estimated to be...
Density functional theory (DFT) is often used to determine the electronic and geometric structures of molecules. While studying alkynyl radicals, we discovered that DFT exchange-correlation (XC) functionals containing less than ∼22% Hartree-Fock (HF) exchange led to qualitatively different structures than those predicted from ab initio HF and post-HF calculations or DFT XCs containing 25% or mo...
The van der Waals interfaces of molecular donor/acceptor or graphene-like two-dimensional (2D) semiconductors are central to concepts and emerging technologies of light-electricity interconversion. Examples include, among others, solar cells, photodetectors, and light emitting diodes. A salient feature in both types of van der Waals interfaces is the poorly screened Coulomb potential that can g...
By imposing three semantic constraints on the π-calculus equipped with delayed input, we obtain a variant of the π-calculus. We prove that Hennessy and Riely’s distributed π-calculus can be encoded into this new model, satisfying a full abstraction theorem, which means that one-dimensional mobility can be characterized by communication. We also discuss the difficulties of expressing two-dimensi...
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