OCS in small para-hydrogen clusters: energetics and structure with N=1-8 complexed hydrogen molecules

We determine the structure and energetics of complexes of the linear OCS molecule with small numbers of para-hydrogen molecules, N=1-8, using zero temperature quantum Monte Carlo methods. Ground state calculations are carried out with importance-sampled rigid body diffusion Monte Carlo (IS-RBDMC) and excited state calculations with the projection operator imaginary time spectral evolution (POITSE) methodology. The ground states are found to be highly structured, with a gradual build up of two axial rings as N increases to 8. Analysis of the azimuthal density correlations around the OCS molecule shows that these rings are quite delocalized for small N values, but become strongly localized for N \geq 5 . Excited state calculations are made for a range of total cluster angular momentum values and the rotational energy levels fitted to obtain effective rotational and distortion constants of the complexed OCS molecule as a function of cluster size N. Detailed analysis of these spectroscopic constants indicates that the complexes of OCS with para-hydrogen have an unusually rich variation in dynamical behavior, with sizes N=1-2 showing near rigid behavior, sizes N=3-4 showing extremely floppy behavior, and the larger sizes N=5-8 showing more rigid behavior again. The large values of the distortion constant D obtained for N=3-4 are rationalized in terms of the coupling between the OCS rotations and the "breathing" mode of the first, partially filled ring of para-hydrogen molecules.Comment: 26 pages, 11 figures. accepted for publication in the Journal of Chemical Physic

Do We Need to Put God into Emotional Support?: A Comparison of Caucasians’ and African-Americans’ Evaluations of Religious versus Non-Religious Comforting Messages

The current study explored whether ethnicity influences young adults’ evaluations of two different sets of comforting messages: those in which concepts such as God, prayer, religion, and faith are woven into low, moderate, and high person-centered strategies (called ‘‘religious strategies’’) and those in which such concepts are not embedded (called ‘‘non-religious strategies’’) into the messages. One hundred ninety-seven college students (63% African-American; 37% Caucasian) rated the sensitivity and effectiveness of religious and non-religious comforting messages. Several significant differences were observed between Caucasians and African-Americans in their evaluations of these strategies. Findings are discussed in terms of their practical implications for ‘‘real world’’ comforting efforts as well as the theoretical significance they hold for the concept of person-centeredness

Snap-8 mercury corrosion and materials research, volume iii topical report, jun. 1960 - dec. 1962

SNAP-8 materials research - mercury corrosion capsule tests of ferritic alloys for mass transfer, stress corrosion, mode of attack, and mechanical propertie

Restoring native ecosystems in urban Auckland: urban soils, isolation, and weeds as impediments to forest establishment

New Zealand urban environments are currently dominated by exotic plant species. Restoring native vegetation and its associated native biodiversity in these landscapes is desirable for both cultural and ecological reasons. We report on the first four years of an ongoing vegetation restoration experiment in Waitakere City, Auckland, that addresses four challenges to urban restoration: weeds, Anthropic Soils, attraction of frugivorous birds, and patch isolation. Nine commonly planted native species, grouped separately into wind- and bird-dispersed species, were planted across four sites increasingly isolated from native bush patches, using two site preparation methods. By year three, woody weeds >50 cm tall had established with an average density of 1.7 plant m across all sites. This was more than 17 times denser than all established wild native woody seedlings of any height. One of our establishment methods, sparse planting with mulch, resulted in higher native plant survival and faster plant growth. However, after 4 years, the more intensive method, dense planting and ripping of the soil, resulted in a denser canopy and a 2.8-fold reduction in woody weed establishment. The typically urban soils of all sites were highly modified, with substantial variation in compaction, ponding risk, and fertility over distances of 5-15 m. Several, but not all, species were detrimentally affected by soil compaction and ponding. Many bird-dispersed species, both native and non-native, colonised the experiment, although this did not differ between plots with planted wind-dispersed and bird-dispersed species, perhaps due to the small size of these plots. Site colonisation by native species was particularly high at sites ≤ 100 m from existing native vegetation, suggesting that even small patches of native vegetation in urban landscapes will be valuable as seed sources for accelerating native plant establishment at nearby receptive sites © New Zealand Ecological Society

Electrical activation and electron spin coherence of ultra low dose antimony implants in silicon

We implanted ultra low doses (2x10^11 cm-2) of 121Sb ions into isotopically enriched 28Si and find high degrees of electrical activation and low levels of dopant diffusion after rapid thermal annealing. Pulsed Electron Spin Resonance shows that spin echo decay is sensitive to the dopant depths, and the interface quality. At 5.2 K, a spin decoherence time, T2, of 0.3 ms is found for profiles peaking 50 nm below a Si/SiO2 interface, increasing to 0.75 ms when the surface is passivated with hydrogen. These measurements provide benchmark data for the development of devices in which quantum information is encoded in donor electron spins

Atomistic Theory of Coherent Spin Transfer between Molecularly Bridged Quantum Dots

Time-resolved Faradary rotation experiments have demonstrated coherent transfer of electron spin between CdSe colloidal quantum dots coupled by conjugated molecules. We employ here a Green's function approach, using semi-empirical tight-binding to treat the nanocrystal Hamiltonian and Extended Huckel theory to treat the linking molecule Hamiltonian, to obtain the coherent transfer probabilities from atomistic calculations, without the introduction of any new parameters. Calculations on 1,4-dithiolbenzene and 1,4-dithiolcyclohexane linked nanocrystals agree qualitatively with experiment and provide support for a previous transfer Hamiltonian model. We find a striking dependence on the transfer probabilities as a function of nanocrystal surface site attachment and linking molecule conformation. Additionally, we predict quantum interference effects in the coherent transfer probabilities for 2,7-dithiolnaphthalene and 2,6-dithiolnaphthalene linking molecules. We suggest possible experiments based on these results that would test the coherent, through-molecule transfer mechanism.Comment: 12 pages, 9 figures. Submitted Phys. Rev.