Dimensionality effects on transition state resonances for H+DH and D+HD reactive collisions

The transition state resonances of the title reactions have been studied on the accurate double many-body expansion (DMBE) potential energy surface for H3 using two-dimensional (2D) and three-dimensional (3D) time-dependent wave packet propagation methods. It is shown that the resonance energies are strongly associated with the vibrational threshold states of the molecular fragment obtained upon dissociation, both in the 2D and 3D calculations. However, although the two systems have the same threshold states, the resonance widths for the 2D D+HD collisions are found to be considerably narrower than for the 3D ones, while no such phenomenon is observed for H+DH. As a result, we have concluded that there is an apparent dimensional effect on the resonance widths of the heavy-light-heavy (HLH) reaction.http://www.sciencedirect.com/science/article/B6TGT-3Y6H16X-B/1/4253a179e22a333236b87dd9066f7e7

A molecular salt of tricyanomethanide anion and a N,N9- dianisylphenazinium dication: cooperative affects of methoxy…methoxy and CMN…N+ intermolecular contacts

A molecular salt of tricyanomethanide anion and a N,N9- dianisylphenazinium dication forms extended supramolecular assemblies that consist of unusual methoxy…methoxy and CMN…N+ intermolecular contacts

Photoreactive Crystalline Quasiracemates

Rationally designed racemic and quasiracemic sulfonamidecinnamic acids assemble to give hydrogen-bonded dimers with coplanar alignment of neighboring olefins. The quasiracemate phase contains near inversion-related motifs with chemically distinct components forming supramolecular heterodimers that undergo asymmetric photodimerization

Photoreactive Crystalline Quasiracemates

Rationally designed racemic and quasiracemic sulfonamidecinnamic acids assemble to give hydrogen-bonded dimers with coplanar alignment of neighboring olefins. The quasiracemate phase contains near inversion-related motifs with chemically distinct components forming supramolecular heterodimers that undergo asymmetric photodimerization

Teratogenic and Embryocidal Effects of Zidovudine (AZT) in Sprague-Dawley Rats

Objective: The purpose of the present investigation was to analyze the effets of zidovudine on the postimplantation embryo and fetus

Surface Optomechanics: Analytic Solution of Detection Limits of Surface Acoustic Waves in Various Fluids

Here we derive the absolute detection limits of various families of surface acoustic waves (SAW) resulting from Brillouin scattering in a whispering gallery resonator (WGR). Given this limit, we calculate the absolute concentration limits for detection of pollutant chemicals in air, water, or other fluids surrounding the WGR. General equations for SAW velocity, linewidth, and detectability are given