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At least 73 records · Page 4

SCF and CI calculations of the dipole moment function of ozone

The constant and linear terms in a Taylor series expansion of the dipole moment function of the ground state of ozone are calculated with Cartesian Gaussian basis sets ranging in quality from minimal to double zeta plus polarization. Results are presented at both the self-consistent field and configuration-interaction levels. Although the algebraic signs of the linear dipole moment derivatives are all established to be positive, the absolute magnitudes of these quantities, as well as the infrared intensities calculated from them, vary considerably with the level of theory.

Curtiss, L. A.↗

Integral dependent spin couplings in CI calculations

Although the number of ways to combine Slater determinants to form spin eigenfunctions increases rapidly with the number of open shells, most of these spin couplings will make only a small contribution to a given state, provided the spin coupling is chosen judiciously. The technique of limiting calculations to the interacting subspace pioneered by Bunge (1970) was employed by Munch and Davidson (1975) to the vanadium atom. The use of an interacting space looses its advantage in more complex cases. However, the problem can always be reduced to only one interacting spin coupling by making the coefficients integral dependent. The present investigation is concerned with the performance of integral dependent interacting couplings, taking into account the results of three test calculations.

Iberle, K.↗

Early solar system aqueous activity - Sr isotope evidence from the Orgueil CI meteorite

The Sr isotopic composition and Rb-87/Sr-86 ratio have been measured in carbonates and sulfate separated from the Orgueil meteorite in order to determine the time when liquid water may have acted on the parent body. Both of the studied phases probably precipitated from aqueous solution. The results show that carbonate deposition occurred contemporaneously with parent body formation or shortly after it, probably within 100 Myr. On the other hand, at least some of the calcium sulfate seems to have been formed recently.

Macdougall, J. D.↗

Matrix mineralogy of the Orgueil CI carbonaceous chondrite

This paper presents the results of petrographic, SEM, and TEM studies of the matrix minerals in Orgueil. It was found that the matrix consists mainly of Fe-bearing Mg-rich serpentine and saponite, and a poorly crystallized Fe-rich ferrihydrite containing small and varying amounts of S and Ni. The serpentine and saponite, which occur in roughly equal molar proportions, are coherently intergrown and occur mainly in fine phyllosilicates in intimate association with the ferrihydrite. Coarse phylosilicates occur in clusters relatively free of ferrihydrite. The matrix mineralogy of the Orgueil chondrite suggests that Orgueil experienced considerably different alteration conditions than did the CM chondrites.

Tomeoka, Kazushige↗

CI, CII, and CO as tracers of gas phase carbon

In the dense interstellar medium, we find that about 20 percent of the total carbon abundance is in the form of CO, about 3 percent in C(sub I), and 100 percent in C(sub II) with uncertainties of factors of order 2. The abundance of other forms of gaseous carbon is negligible. CO is widespread throughout molecular clouds as is C(sub I). C(sub II) has only been observed near bright star-formation regions so far because of its high excitation energy. Further from ultraviolet sources it may be less abundant. Altogether we have accounted for about 1/3 of the total carbon abundance associated with dense molecular clouds. Since the other gaseous forms are thought to have negligible abundances, the rest of the carbon is probably in solid form.

Keene, Jocelyn↗

The CI pressure shift and gravitational redshift of the cool DBQA5 white dwarf LDS678A

A high resolution ultraviolet spectrum of the helium rich degenerate LDS 678A, obtained with the International Ultraviolet Explorer (IUE) satellite is presented. LDS 678A is the coolest metallic line generate (DQ or DZ) yet observed with the IUE scale. These observations provide a detailed line profile of the strong C I 2479 absorption line with equivalent width (W sub 2479 = 2.35 plus or minus 0.06 angstroms) from which theoretical line profile fits yield a C abundance (log C/He = 6.4). The presence of carbon in a helium rich atmosphere lends credence to the notion that LDS 678A is a transitional case between the DB white dwarfs with nearly pure helium atmospheres and the helium rich DQ white dwarfs which exhibit carbon bands. Corrected for an inferred pressure shift for the C I line, a gravitational redshift is deduced from which a most probable mass of 0.55 solar mass is derived.

Sion, E. M.↗

Volatiles in fourteen interplanetary dust particles: A comparison with CI and CM chondrites

In an attempt to classify the nature of volatiles within interplanetary dust particles (IDP's), 14 IDP's using a laser microprobe/mass spectrometer (LM/MS) technique were studied. Volatile abundances and distributions found for the IDP's are compared with those measured for carbonaceous chondrites in order to determine if the IDP's are related to the parent bodies of these primitive meteorites.

Bustin, R.↗

Application of an alkylammonium method for characterization of phyllosilicates in CI chondrites

Many meteorites and interplanetary dust particles (IDP's) with primitive compositions contain significant amounts of phyllosilicates, which are generally interpreted as evidence of protoplanetary aqueous alteration at an early period in the solar system. These meteorites are chondrites of the carbonaceous and ordinary varieties. Characterization of phyllosilicates in these materials is important because of the important physico-chemical information they hold, e.g., from well characterized phyllosilicates, thermodynamic stability relations and hence the conditions of formation of phyllosilicates in the parent body of the meteorite can be predicted. Although we are at a rudimentary level of understanding of the minerals resulting from the aqueous alteration in the early solar nebula, we know that the most common phyllosilicates present in chondritic extraterrestrial materials are serpentines, smectites, chlorites, and micas. The characterization of fine grained minerals in meteorites and IDP's rely heavily on electron beam instruments, especially transmission electron microscopy (TEM). Typically, phyllosilicates are identified by a combination of high resolution imaging of basal spacings, electron diffraction analysis, and chemical analysis. Smectites can be difficult to differentiate from micas because the smectites loose their interlayer water and the interlayers collapse to the same basal spacing as mica in the high vacuum of the TEM. In high-resolution TEM (HRTEM) images, smectite basal spacings vary from 1 nm up to 1.5 nm, while micas show 1 or 2 nm basal spacings. Not only is it difficult to differentiate smectites from micas, but there is no way of identifying different classes of smectites in meteorites and IDP's. To differentiate smectites from micas and also to recognize the charge differences among smectites, an alkylammonium method can be employed because the basal spacings of alkylammonium saturated smectites expand as a function of alkylamine chain length and the layer-charge density of the 2:1 expanding phyllosilicate, and the final product is significantly more stable under electron beam examination. Such a method was tested on standard clays and several meteorite samples using four alkylammonium salts.

Golden, D. C.↗

Modifying and Testing ATC Controller Interface (CI) for Data Link Clearances

The Controller-Pilot Data Link Communications (CPDLC) and Air Traffic Control workstation research was conducted as part of the 1997 NASA Low Visibility Landing and Surface Operations (LVLASO) demonstration program at Atlanta Hartsfield airport. Research activity under this grant increased the sophistication of the Controllers' Communication and Situational Awareness Terminal (C-CAST) and developed a VHF Data Link -Mode 2 communications platform. The research culminated with participation in the 2000 NASA Aviation Safety Program's Synthetic Vision System (SVS) / Runway Incursion Prevention System (RIPS) flight demonstration at Dallas-Fort Worth Airport.

Source record↗

Kinetics of the CI(2PJ) + CH4 Reaction: Effects of Secondary Chemistry Below 300k

Because of the relatively large disagreement among earlier measurements at low temperatures, the results were examined for possible effects of non-Boltzmann spin distribution and vibrational excitation of CH4, secondary chemistry of CH3 radicals,and impuities in the CH4 source.

atmospheric chemistry kinetics low temperature↗

Accurate Calculation of Oscillator Strengths for CI II Lines Using Non-orthogonal Wavefunctions

Non-orthogonal orbitals technique in the multiconfiguration Hartree-Fock approach is used to calculate oscillator strengths and transition probabilities for allowed and intercombination lines in Cl II. The relativistic corrections are included through the Breit-Pauli Hamiltonian. The Cl II wave functions show strong term dependence. The non-orthogonal orbitals are used to describe the term dependence of radial functions. Large sets of spectroscopic and correlation functions are chosen to describe adequately strong interactions in the 3s(sup 2)3p(sup 3)nl (sup 3)Po, (sup 1)Po and (sup 3)Do Rydberg series and to properly account for the important correlation and relaxation effects. The length and velocity forms of oscillator strength show good agreement for most transitions. The calculated radiative lifetime for the 3s3p(sup 5) (sup 3)Po state is in good agreement with experiment.

Tayal, S. S.↗

Enrichment of the Amino Acid L-Isovaline by Aqueous Alteration on CI and CM Meteorite Parent Bodies

The distribution and enantiomeric composition of the 5-carbon (C(sub 5)) amino acids found in Cl-, CM-, and CR-type carbonaceous meteorites were investigated by using liquid chromatography fluorescence detection/TOF-MS coupled with o-phthaldialdehyde/Nacetyl- l-cysteine derivatization. A large L-enantiomeric excess (ee) of the a-methyl amino acid isovaline was found in the CM meteorite Murchison (L(sub ee) = 18.5 +/- 2.6%) and the Cl meteorite Orguell (L(sub ee) = 15.2 +/- 4.0%). The measured value for Murchison is the largest enantiomeric excess in any meteorite reported to date, and the Orgueil measurement of an isovaline excess has not been reported previously for this or any Cl meteorite. The L-isovaline enrichments in these two carbonaceous meteorites cannot be the result of interference from other C(sub 5) amino acid isomers present in the samples, analytical biases, or terrestrial amino acid contamination. We observed no L-isovaline enrichment for the most primitive unaltered Antarctic CR meteorites EET 92042 and QUE 99177. These results are inconsistent with UV circularly polarized light as the primary mechanism for L-isovaline enrichment and indicate that amplification of a small initial isovaline asymmetry in Murchison and Orgueil occurred during an extended aqueous alteration phase on the meteorite parent bodies. The large asymmetry in isovaline and other alpha-dialkyl amino acids found in altered Ct and CM meteorites suggests that amino acids delivered by asteroids, comets, and their fragments would have biased the Earth's prebiotic organic inventory with left-handed molecules before the origin of life.

Glavin, Daniel P.↗

Bright Stuff on Ceres = Sulfates and Carbonates on CI Chondrites

Recent reports of the DAWN spacecraft's observations of the surface of Ceres indicate that there are bright areas, which can be explained by large amounts of the Mg sulfate hexahydrate (MgSO4•6(H2O)), although the identification appears tenuous. There are preliminary indications that water is being evolved from these bright areas, and some have inferred that these might be sites of contemporary hydro-volcanism. A heat source for such modern activity is not obvious, given the small size of Ceres, lack of any tidal forces from nearby giant planets, probable age and presumed bulk composition. We contend that observations of chondritic materials in the lab shed light on the nature of the bright spots on Ceres

Zolensky, Michael↗