Vibrational spectroscopy with inelastic neutron scattering can provide spectra that are more detailed and easier to interpret than optical spectra. The spectral intensity depends on energy transfer and kinetic momentum transfer, allowing determination of the potential function. Experiments reveal that the proton involved in intermolecular hydrogen bonding in N-methylacetamide and polyglycine I ...

We provide a rigorous derivation of a class of double-hybrid approximations, combining Hartree-Fock exchange and second-order Møller-Plesset correlation with a semilocal exchange-correlation density functional. These double-hybrid approximations contain only one empirical parameter and use a density-scaled correlation energy functional. Neglecting density scaling leads to a one-parameter versio...

Small-signal ac transport of degenerate two-dimensional hot electrons in PbTe quantum wells is studied here incorporating deformation potential acoustic, polar optic and ionized background and remote impurity scatterings in the framework of heated drifted Fermi-Dirac distribution. The effects of double delta doping on millimeter and sub-millimeter wave response of two-dimensional hot electrons ...

Appropriate bias is widely viewed as the key to efficient learning and generalization. I present a new algorithm, the Incremental Delta-Bar-Delta (IDBD) algorithm, for the learning of appropriate biases based on previous learning experience. The IDBD algorithm is developed for the case of a simple, linear learning system—the LMS or delta rule with a separate learning-rate parameter for each inp...

Small-signal ac transport of degenerate two-dimensional hot electrons in PbTe quantum wells is studied here incorporating deformation potential acoustic, polar optic and ionized background and remote impurity scatterings in the framework of heated drifted Fermi-Dirac distribution. The effects of double delta doping on millimeter and sub-millimeter wave response of two-dimensional hot electrons ...

The proliferating cell nuclear antigen (PCNA) is a processivity subunit for eukaryotic DNA polymerase delta. We present biochemical evidence that yeast PCNA likely adopts a toroidal structure containing an inside cavity through which double-stranded DNA slides. A comparative study of DNA replication reactions on circular versus linear model substrates shows that PCNA can only interact productiv...

Among the interactions which govern NMR spectra, spin-spin coupling interactions provide the most direct form of structural information which is of interest to chemists. Dipolar coupling may be used to measure internuclear distances directly and J coupling may be used to identify bonding interactions and provide insights into the nature of the bonds. It is well known that the presence of a quad...

Given its ubiquity, it is not surprising that agriculture, including finfish aquaculture, contributes to food webs worldwide and used by numerous wildlife for foraging meeting other needs. Double-crested Cormorants (Phalacrocorax auritus) impact United States commercial aquaculture are considered the primary avian predator in catfish (Ictalurus spp.) facilities Mississippi Delta. Recent changes...

Double-rotation (DOR) is the only technique generally capable of yielding high-resolution NMR spectra of half-integer quadrupolar nuclei in one dimension for solids without the need for sophisticated coherence pathway selection. Unfortunately, due to the low outer rotor spinning frequencies currently available, the spectra often contain a large number of spinning sidebands which may overlap wit...