1,953 research outputs found
Molecular collisions. 15 - Classical limit of the generalized phase shift treatment of rotational excitation - Atom-rigid rotor
Generalized phase shift approach to problem of rotationally inelastic molecular collision
A transport properties of a moderately dense lennard-jones gas
First and second order density corrections to transport coefficients of moderately dense ga
Molecular collisions. 16: Comparison of GPS with classical trajectory calculations of rotational inelasticity for the Ar-N2 system
Comparison of generalized phase shift treatment with classical trajectory calculations of rotational inelasticity cross sections of Ar-N2 scatterin
Molecular collisions. 14 - First-order approximation of the generalized phase shift treatment of rotational excitation - Atom-rigid rotor
Applying generalized phase shift approach to rotational excitation problem to atom-rigid rotor case in first order approximatio
Characterisation of a novel aviadenovirus associated with disease in tawny frogmouths (Podargus strigoides)
Aviadenoviruses are widespread in wild birds but rarely cause disease in nature. However, when naïve species are exposed to poultry or aviaries, aviadenoviruses can lead to disease outbreaks. This study characterised a novel aviadenovirus infection in a native Australian bird, the tawny frogmouth (Podargus strigoides) during an outbreak investigation. The identified complete genome of aviadenovirus, named tawny frogmouth aviadenovirus A (TwAviAdV-A) was 41,175 bp in length containing 52 putative genes. TwAviAdV-A exhibits the common aviadenovirus genomic organisation but with a notable monophyletic subclade in the phylogeny. The TwAviAdV-A virus was hepatotrophic and the six frogmouths presented to the wildlife hospitals in South Eastern Queensland most commonly exhibited regurgitation (in four frogmouths). Three were died or euthanized, two recovered, and one showed no signs. The detection of TwAviAdV-A in frogmouths coming into care re-emphasizes the need for strict biosecurity protocols in wildlife hospitals and care facilities
Independent Eigenstates of Angular Momentum in a Quantum N-body System
The global rotational degrees of freedom in the Schr\"{o}dinger equation for
an -body system are completely separated from the internal ones. After
removing the motion of center of mass, we find a complete set of
independent base functions with the angular momentum . These are
homogeneous polynomials in the components of the coordinate vectors and the
solutions of the Laplace equation, where the Euler angles do not appear
explicitly. Any function with given angular momentum and given parity in the
system can be expanded with respect to the base functions, where the
coefficients are the functions of the internal variables. With the right choice
of the base functions and the internal variables, we explicitly establish the
equations for those functions. Only (3N-6) internal variables are involved both
in the functions and in the equations. The permutation symmetry of the wave
functions for identical particles is discussed.Comment: 24 pages, no figure, one Table, RevTex, Will be published in Phys.
Rev. A 64, 0421xx (Oct. 2001
Bis(tetraÂmethylÂammonium) tetraÂchloridoÂzincate(II), phase VI
Phase VI of bisÂ(tetraÂmethylÂammonium) tetraÂchloroÂzincate(II), (C4H12N)2[ZnCl4], contains three formula units per asymmetric unit. Several short C—H⋯Cl contacts [2.70 (3) and 2.72 (4) Å] are observed, but they are believed to participate only in van der Waals interÂactions. The crystal studied exhibited inversion twinning
Warming Up Density Functional Theory
Density functional theory (DFT) has become the most popular approach to
electronic structure across disciplines, especially in material and chemical
sciences. Last year, at least 30,000 papers used DFT to make useful predictions
or give insight into an enormous diversity of scientific problems, ranging from
battery development to solar cell efficiency and far beyond. The success of
this field has been driven by usefully accurate approximations based on known
exact conditions and careful testing and validation. In the last decade,
applications of DFT in a new area, warm dense matter, have exploded. DFT is
revolutionizing simulations of warm dense matter including applications in
controlled fusion, planetary interiors, and other areas of high energy density
physics. Over the past decade or so, molecular dynamics calculations driven by
modern density functional theory have played a crucial role in bringing
chemical realism to these applications, often (but not always) with excellent
agreement with experiment. This chapter summarizes recent work from our group
on density functional theory at non-zero temperatures, which we call thermal
DFT. We explain the relevance of this work in the context of warm dense matter,
and the importance of quantum chemistry to this regime. We illustrate many
basic concepts on a simple model system, the asymmetric Hubbard dimer
Should patients with diabetes be encouraged to integrate social media into their care plan?
AIM: To evaluate the use of social media of individuals with diabetes mellitus (DM).
MATERIALS & METHODS: Both web-based and in-clinic surveys were collected from individuals with DM. Descriptive and correlation analyses were employed to evaluate respondents\u27 diabetes-specific social networking site behaviors.
RESULTS: Forty-five patients with DM completed the web-based survey and 167, the clinic-based survey, of whom only 40 visited diabetes-specific social networking sites. Analysis of online survey data indicated that self-reported adherence to lifestyle recommendations was significantly correlated (p \u3c 0.01) with visiting the sites. Clinic-based survey data found that patients who reported using DM-specific web sites monitored home glucose values more often and had better compliance with insulin administration (both p \u3c 0.05) compared with nonusers.
CONCLUSION: This study provides insight into why individuals visit DM-specific social networking sites. Certain self-management behaviors may improve as a result of visiting these sites. Further work is needed to explore how to leverage social media technology to assist patients with the management of DM
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