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- And 5.401 D (OAlOS) predict strong rotational transitions and indicate these molecules as prime candidates for experimental study. Due to the low transition-state barrier (1)
- And electronic spectroscopic properties are provided to inform experimental and observational searches. Cis-AlOSO and diamond isomers are isoenergetic and connected via a very small (∼1 kcal mol−1) transition-state barrier. These isomers may act as intermediates along the chemical pathway between Al + SO2 and AlO + SO. Other isomers OAlOS and SAlO2 are stable relative to their corresponding dissociation asymptotes. Large permanent dipole moments of 2.521 D (cis-AlOSO) (1)
- And predictions of their rotational (1)
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Articles 31 - 43 of 43
Full-Text Articles in Other Astrophysics and Astronomy
Spectroscopic Properties Relevant To Astronomical And Laboratory Detection Of Mch And Mch+ (M = Al, Mg), Vincent J. Esposito, Tarek Trabelsi, Joseph S. Francisco
Spectroscopic Properties Relevant To Astronomical And Laboratory Detection Of Mch And Mch+ (M = Al, Mg), Vincent J. Esposito, Tarek Trabelsi, Joseph S. Francisco
Biology, Chemistry, and Environmental Sciences Faculty Articles and Research
New spectroscopic parameters have been calculated to aid in the laboratory and observational detection of AlCH, AlCH+, MgCH, MgCH+, and their deuterated analogs. All species exist in linear geometry except for AlCH+, which exhibits a bent structure. Rotational frequencies have been calculated and the transition with maximum intensity is discussed for three temperature regions present in space: 100 K for a central circumstellar envelope (CSE), 30 K for an outer CSE, and 3 K indicative of the interstellar medium. Pertinent frequencies range from 25 to 250 GHz, depending on the species. At 30 K, the most …
Photochemistry Of Nh2No2 And Implications For Chemistry In The Atmosphere, Vincent J. Esposito, Tarek Trabelsi, Joseph S. Francisco
Photochemistry Of Nh2No2 And Implications For Chemistry In The Atmosphere, Vincent J. Esposito, Tarek Trabelsi, Joseph S. Francisco
Biology, Chemistry, and Environmental Sciences Faculty Articles and Research
Recent studies have indicated that nitramide (NH2NO2) may be formed more plentifully in the atmosphere than previously thought, while also being a missing source of the greenhouse gas nitrous oxide (N2O) via catalyzed isomerization. To validate the importance of NH2NO2 in the Earth’s atmosphere, the ground and first electronic excited states of NH2NO2 were characterized and its photochemistry was investigated using multireference and coupled cluster methods. NH2NO2 is non-planar and of singlet multiplicity in the ground state while exhibiting large out-of-plane rotation in the triplet …
High Level Ab Initio Study Of The Energetic And Spectroscopic Properties Of [Al,S,O]X (X=0,+1) And Its Potential For Detection In Space, Vincent J. Esposito, Tarek Trabelsi, Joseph S. Francisco
High Level Ab Initio Study Of The Energetic And Spectroscopic Properties Of [Al,S,O]X (X=0,+1) And Its Potential For Detection In Space, Vincent J. Esposito, Tarek Trabelsi, Joseph S. Francisco
Biology, Chemistry, and Environmental Sciences Faculty Articles and Research
Highly reliable molecular properties have been computed for the [Al, S, O]x (x = 0, +1) molecular system. Spectroscopic parameters are predicted from analysis of each isomer’s 3D potential energy surface calculated using the explicitly correlated multireference configuration interaction method, including the Davidson correction (MRCI-F12+Q). These parameters provide an accurate prediction of spectroscopic data that can be used in laboratory and observational studies of these molecules. Linear-SAlO is expected to have a large permanent dipole moment suitable for detection in the circumstellar envelopes of large, evolved, oxygen-rich stars such as VY Canis Majoris, IK Tauri, and R Doradus. …
Astromimetics: The Dawn Of A New Era For (Bio)Materials Science?, Vuk Uskoković, Victoria M. Wu
Astromimetics: The Dawn Of A New Era For (Bio)Materials Science?, Vuk Uskoković, Victoria M. Wu
Pharmacy Faculty Articles and Research
Composite, multifunctional fine particles are likely to be at the frontier of materials science in the foreseeable future. Here we present a submicron composite particle that mimics the stratified structure of the Earth by having a zero-valent iron core, a silicate/silicide mantle, and a thin carbonaceous crust resembling the biosphere and its biotic deposits. Particles were formulated in a stable colloidal form and made to interact with various types of healthy and cancer cells in vitro. A selective anticancer activity was observed, promising from the point of view of the intended use of the particles for tumor targeting across the …
Knotty Inflation And The Dimensionality Of Spacetime, Arjun Berera, Roman V. Buniy, Thomas W. Kephart, Heinrich Päs, João G. Rosa
Knotty Inflation And The Dimensionality Of Spacetime, Arjun Berera, Roman V. Buniy, Thomas W. Kephart, Heinrich Päs, João G. Rosa
Mathematics, Physics, and Computer Science Faculty Articles and Research
We suggest a structure for the vacuum comprised of a network of tightly knotted/linked flux tubes formed in a QCD-like cosmological phase transition and show that such a network can drive cosmological inflation. As the network can be topologically stable only in three space dimensions, this scenario provides a dynamical explanation for the existence of exactly three large spatial dimensions in our Universe.
The Statistical Mechanics Of Solar Wind Hydroxylation At The Moon, Within Lunar Magnetic Anomalies, And At Phobos, W. M. Farrell, D. M. Hurley, Vincent J. Esposito, J. L. Mclain, M. I. Zimmerman
The Statistical Mechanics Of Solar Wind Hydroxylation At The Moon, Within Lunar Magnetic Anomalies, And At Phobos, W. M. Farrell, D. M. Hurley, Vincent J. Esposito, J. L. Mclain, M. I. Zimmerman
Biology, Chemistry, and Environmental Sciences Faculty Articles and Research
We present a new formalism to describe the outgassing of hydrogen initially implanted by the solar wind protons into exposed soils on airless bodies. The formalism applies a statistical mechanics approach similar to that applied recently to molecular adsorption onto activated surfaces. The key element enabling this formalism is the recognition that the interatomic potential between the implanted H and regolith-residing oxides is not of singular value but possess a distribution of trapped energy values at a given temperature, F(U,T). All subsequent derivations of the outward diffusion and H retention rely on the specific properties of this distribution. We …
Elvis: Exploring The Local Volume In Simulations, Shea Garrison-Kimmel, Michael Boylan-Kolchin, James S. Bullock, Kyle Lee
Elvis: Exploring The Local Volume In Simulations, Shea Garrison-Kimmel, Michael Boylan-Kolchin, James S. Bullock, Kyle Lee
Mathematics, Physics, and Computer Science Faculty Articles and Research
We introduce a set of high-resolution dissipationless simulations that model the Local Group (LG) in a cosmological context: Exploring the Local Volume in Simulations (ELVIS). The suite contains 48 Galaxy-size haloes, each within high-resolution volumes that span 2-5 Mpc in size, and each resolving thousands of systems with masses below the atomic cooling limit. Half of the ELVIS galaxy haloes are in paired configurations similar to the Milky Way (MW) and M31; the other half are isolated, mass-matched analogues. We find no difference in the abundance or kinematics of substructure within the virial radii of isolated versus paired hosts. On …
Limit On Continuous Neutrino Emission From Neutron Stars, Itzhak Goldman, Shmuel Nussinov
Limit On Continuous Neutrino Emission From Neutron Stars, Itzhak Goldman, Shmuel Nussinov
Mathematics, Physics, and Computer Science Faculty Articles and Research
The timing data of the binary pulsar PSR1913+16, are used to establish an upper limit on the rate of continuous neutrino emission from neutron stars. Neutrino emission from each of the neutron stars of the binary system, increases the star binding energy and thus translates to a decrease in their masses. This in turn implies an increase with time of the binary period. Using the pulsar data we obtain an upper limit on the allowed rate of mass reduction: vertical bar M vertical bar < 1.1 x 10(-12) yr(-1) M, where M is the total mass of the binary. This constrains exotic nuclear equations of state that predict continuous neutrino emissions. The limit applies also to other channels of energy loss, e. g. axion emission. Continued timing measurements of additional binary pulsars, should yield a stronger limit in the future.
The Recent High State Of The Bl Lacertae Object Ao 0235 And Cross-Correlations Between Optical And Radio Bands, M. Roy, I. E. Papadikis, E. Ramos-Colon, R. Sambruna, K. Tsinganos, J. Papamastorkis, Menas Kafatos
The Recent High State Of The Bl Lacertae Object Ao 0235 And Cross-Correlations Between Optical And Radio Bands, M. Roy, I. E. Papadikis, E. Ramos-Colon, R. Sambruna, K. Tsinganos, J. Papamastorkis, Menas Kafatos
Mathematics, Physics, and Computer Science Faculty Articles and Research
We present new optical (B, V , R, I) and radio (at 14.5, 8.5, and 4.8 GHz) observations of the γ-ray- loud blazar AO 0235+164 obtained during the high state of 1997 December-1998 January. The data were combined with historical light curves from the literature to study correlated optical and radio variations over a time span of more than 20 years. Flux variability with large and energy-dependent amplitude is observed at both wave bands, with the source varying over all timescales sampled (years-months- days), in agreement with previous reports. We have performed a cross-correlation analysis of optical and radio light …
Ion Viscosity Mediated By Tangled Magnetic Fields: An Application To Black Hole Accretion Disks, P. Subramanian, P. A. Becker, Menas Kafatos
Ion Viscosity Mediated By Tangled Magnetic Fields: An Application To Black Hole Accretion Disks, P. Subramanian, P. A. Becker, Menas Kafatos
Mathematics, Physics, and Computer Science Faculty Articles and Research
We examine the viscosity associated with the shear stress exerted by ions in the presence of a tangled magnetic field. As an application, we consider the effect of this mechanism on the structure of black hole accretion disks. We do not attempt to include a self-consistent description of the magnetic field. Instead, we assume the existence of a tangled field with coherence length λcob• which is the average distance between the magnetic "kinks" that scatter the particles. For simplicity, we assume that the field is self-similar, and take λcob to be a fixed fraction ξ of the local disk height …
Implications Of Gamma-Ray Transparency Constraints In Blazars: Minimum Distances And Gamma-Ray Collimation, P. A. Becker, Menas Kafatos
Implications Of Gamma-Ray Transparency Constraints In Blazars: Minimum Distances And Gamma-Ray Collimation, P. A. Becker, Menas Kafatos
Mathematics, Physics, and Computer Science Faculty Articles and Research
We develop a general expression for the γ-γ absorption coefficient, αγγ, for γ-rays propagating in an arbitrary direction at an arbitrary point in space above an X-ray-emitting accretion disk. The X-ray intensity is assumed to vary as a power law in energy and radius between the outer disk radius, R0 , and the inner radius, Rm., which is the radius of marginal stability for a Schwarzschild black hole. We use our result for αγγ to calculate the γ-γ optical depth, Tγγ, for γ-rays created at height z and propagating at angle Φ relative to the disk axis, and we show …
Shock Study In Fully Relativistic Isothermal Flows. Ii, Ruixin Yang, Menas Kafatos
Shock Study In Fully Relativistic Isothermal Flows. Ii, Ruixin Yang, Menas Kafatos
Mathematics, Physics, and Computer Science Faculty Articles and Research
The isothermal shocks and their stabilities in fully relativistic accretion wedge flows onto black holes are studied. The jump condition across the shock is modified by the relativistic effects when the sound speed is comparable to the speed of light. With a new kind of instability analysis, it is found that only one of the two possible shocks is stable. The results are applied to the QPO behavior in galactic black hole candidates such as Cygnus X-1.
Multiwavelength Observations Of Markarian 421 During A Tev/X-Ray Flare, D. J. Macomb, C. W. Akerlof, H. D. Aller, M. F. Aller, D. L. Bertsch, Menas Kafatos
Multiwavelength Observations Of Markarian 421 During A Tev/X-Ray Flare, D. J. Macomb, C. W. Akerlof, H. D. Aller, M. F. Aller, D. L. Bertsch, Menas Kafatos
Mathematics, Physics, and Computer Science Faculty Articles and Research
A Te V flare from the BL Lac object Mrk 421 was detected in May of 1994 by the Whipple Observatory air Cherenkov experiment during which the flux above 250 GeV increased by nearly an order of magnitude over a 2-day period. Contemporaneous observations by ASCA showed the X-ray flux to be in a very high state. We present these results, combined with the first ever simultaneous or nearly simultaneous observations at Ge V gamma-ray, UV, IR, mm, and radio energies for this nearest BL Lac object. While the GeV gamma-ray flux increased slightly, there is little evidence for variability …