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2005

Articles 1 - 9 of 9

Full-Text Articles in Biological and Chemical Physics

A Hierarchical Family Of Three-Dimensional Potential Energy Surfaces For He-Co, Kirk A. Peterson, George C. Mcbane Aug 2005

A Hierarchical Family Of Three-Dimensional Potential Energy Surfaces For He-Co, Kirk A. Peterson, George C. Mcbane

Peer Reviewed Articles

A hierarchical family of five three-dimensional potential energy surfaces has been developed for the benchmark He-CO system. Four surfaces were obtained at the coupled cluster singles and doubles level of theory with a perturbational estimate of triple excitations, CCSD(T), and range in quality from the doubly augmented double-zeta basis set to the complete basis set (CBS) limit. The fifth corresponds to an approximate CCSDT/CBS surface (CCSD with iterative triples/CBS, denoted CBS+corr). The CBS limit results were obtained by pointwise basis set extrapolations of the individual counterpoise-corrected interaction energies. For each surface, over 1000 interaction energies were accurately interpolated using a …

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Radiative Neutron Β-Decay In Effective Field Theory, Susan Gardner, Véronique Bernard, Ulf-G. Meißner, Chi Zhang Jul 2005

Radiative Neutron Β-Decay In Effective Field Theory, Susan Gardner, Véronique Bernard, Ulf-G. Meißner, Chi Zhang

Center for Plant Science Innovation: Faculty Publications

In summary, we have computed the photon energy spectrum and photon polarization in neutron radiative β-decay in an effective field theory approach, utilizing HBCHPT and the SSE, including all terms in O(1/M). The leading contribution to the photon energy spectrum has been calculated previously [4]; we agree with the expression in Ref. [4] for Σspins |M|2, though we disagree with their numerical results for the photon energy spectrum. Moreover, we find that the O(1/M) terms are numerically quite small, generating contributions no larger than O(0.5 %), so that radiative neutron β-decay is quite insensitive to nucleon structure …

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Photo-Induced Current Measurements In Chlamydomonas Cell Suspensions, Collin D. Capano May 2005

Photo-Induced Current Measurements In Chlamydomonas Cell Suspensions, Collin D. Capano

Renée Crown University Honors Thesis Projects - All

In order to fully understand the principles behind phototaxis in flagellate algae, it is necessary to measure the electric currents these cells create when processing light stimuli. Many different techniques have been developed to do this. One of these techniques, measuring from cell suspensions, has a number of advantages over the others that makes it highly desirable. However, the lab that first developed this method of recording did not describe the setup very well. The result is that in the thirteen years since it was first reported, only one other independent lab has been able to reproduce the results despite …

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Detection Of Bacillus Spores By Aptamer Selectivity Using Atomic Force Microscopy, Nina M. Houtkooper Mar 2005

Detection Of Bacillus Spores By Aptamer Selectivity Using Atomic Force Microscopy, Nina M. Houtkooper

Theses and Dissertations

The anthrax attack of Oct 2001 demonstrates the need for a rapid detector for spores of Bacillus anthracis (BA). Current technology requires cultures of BA to be grown for 24 hours. Using aptamers, a type of nucleic acid ligand selective for a target molecule, to select BA spores for measurement without culturing is a possible solution for quicker detection. An aptamer having a specially selected structure is expected to selectively bind to the surface of its target spore, separating it from other material. An atomic force microscopy (AFM) method was developed to test this selectivity. Aptamers having structure selected to …

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Lethality Of Bacillus Anthracis Spores Due To Short Duration Heating Measured Using Infrared Spectroscopy, Kristina M. Goetz Mar 2005

Lethality Of Bacillus Anthracis Spores Due To Short Duration Heating Measured Using Infrared Spectroscopy, Kristina M. Goetz

Theses and Dissertations

There are a number of analytical and semi-empirical models that describe the behavior of particulate matter in the atmosphere. Many of these require modification for all types of weather, dry versus wet deposition, and overall effects can be quite non-linear. Rainfall (rate, drop size, etc.), snowfall (rate, flake size, etc.), humidity, pressure, temperature, and combination of these greatly affect particle settling and washout rates. To that end, a method for tracking released constituents using the Regional Atmospheric Modeling System (RAMS) microphysics package is developed by modifying one of the hydrometeor categories (hail) in the microphysics package. The RAMS microphysics package …

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Molecular Dynamics Simulations Of Amphiphilic Molecules, Roger L. Mcmullen Jr. Jan 2005

Molecular Dynamics Simulations Of Amphiphilic Molecules, Roger L. Mcmullen Jr.

Seton Hall University Dissertations and Theses (ETDs)

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Near-Edge X-Ray Absorption Fine Structure Study Of Ion-Beam-Induced Phase Transformation In Gd2(Ti1-Yzry)2o7, Ponnusamy Nachimuthu, S. Thevuthasan, V. Shutthanandan, E. M. Adams, W. J. Weber, B. D. Begg, D. K. Shuh, Dennis W. Lindle, Eric M. Gullikson, Rupert C. Perera Jan 2005

Near-Edge X-Ray Absorption Fine Structure Study Of Ion-Beam-Induced Phase Transformation In Gd2(Ti1-Yzry)2o7, Ponnusamy Nachimuthu, S. Thevuthasan, V. Shutthanandan, E. M. Adams, W. J. Weber, B. D. Begg, D. K. Shuh, Dennis W. Lindle, Eric M. Gullikson, Rupert C. Perera

Chemistry and Biochemistry Faculty Research

The structural and electronic properties of Gd2(Ti1−yZry)2O7 (y=0–1) pyrochlores following a 2.0-MeV Au2+ ion-beam irradiation (~5.0 X 1014 Au2+/cm2) have been investigated by Ti 2p and O 1s near-edge x-ray absorption fine structure (NEXAFS). The irradiation of Gd2(Ti1−yZry)2O7 leads to the phase transformation from the ordered pyrochlore structure (Fd3m) to the defect fluorite structure (Fm3m) regardless of Zr concentration. Irradiated Gd2(Ti1−y …

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Fragmentation Dynamics Of H2s Following S 2p Photoexcitation, Renaud Guillemin, S-W Yu, Wayne C. Stolte, Dennis W. Lindle Jan 2005

Fragmentation Dynamics Of H2s Following S 2p Photoexcitation, Renaud Guillemin, S-W Yu, Wayne C. Stolte, Dennis W. Lindle

Chemistry and Biochemistry Faculty Research

The fragmentation dynamics of core-excited H2S has been studied by means of partial anion and cation yield measurements around the S L2,3-subshell ionization thresholds. All detectable ionic fragments are reported, and significant differences between partial ion yields are observed. Possible dissociation pathways are discussed by comparison to previous studies of electron spectra.

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Anion And Cation-Yield Spectroscopy Of Core-Excited Sf6, Maria Novella Piancastelli, Wayne C. Stolte, Renaud Guillemin, A. Wolska, M. M. Sant'anna, Dennis W. Lindle Jan 2005

Anion And Cation-Yield Spectroscopy Of Core-Excited Sf6, Maria Novella Piancastelli, Wayne C. Stolte, Renaud Guillemin, A. Wolska, M. M. Sant'anna, Dennis W. Lindle

Chemistry and Biochemistry Faculty Research

We report an extensive study on total and partial-ion-yield spectroscopy around both the S 2p and F 1s thresholds in SF6. All positive and negative single-ion channels have been measured. Below the F 1s threshold we detect a large variation in relative intensity of the resonant structures according to the specific channel monitored, indicating selective fragmentation. Above threshold, at variance with previous cases described by us, we detect high-intensity structures related to shape resonances not only in the cation channels but also for the anions. We discuss the applicability and limits of a model we …

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