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  • 1
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    The protonation of N2O reexamined - A case study on the reliability of various electron correlation methods for minima and transition states (1993)
    In:  Other Sources
    Details
    Publication Date: 2011-08-24
    Description: The protonation of N2O and the intramolecular proton transfer in N2OH(+) are studied using various basis sets and a variety of methods, including second-order many-body perturbation theory (MP2), singles and doubles coupled cluster (CCSD), the augmented coupled cluster (CCSD/T/), and complete active space self-consistent field (CASSCF) methods. For geometries, MP2 leads to serious errors even for HNNO(+); for the transition state, only CCSD/T/ produces a reliable geometry due to serious nondynamical correlation effects. The proton affinity at 298.15 K is estimated at 137.6 kcal/mol, in close agreement with recent experimental determinations of 137.3 +/- 1 kcal/mol.
    Keywords: ATOMIC AND MOLECULAR PHYSICS
    Type: Journal of Chemical Physics (ISSN 0021-9606); 98; 10; p. 7951-7957.
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  • 2
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    Accurate ab initio quartic force fields for borane and BeH2 (1992)
    In:  Other Sources
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    Publication Date: 2011-08-24
    Description: The quartic force fields of BH3 and BeH2 have been computed ab initio using an augmented coupled cluster (CCSD(T)) method and basis sets of spdf and spdfg quality. For BH3, the computed spectroscopic constants are in very good agreement with recent experimental data, and definitively confirm misassignments in some older work, in agreement with recent ab initio studies. Using the computed spectroscopic constants, the rovibrational partition function for both molecules has been constructed using a modified direct numerical summation algorithm, and JANAF-style thermochemical tables are presented.
    Keywords: INORGANIC AND PHYSICAL CHEMISTRY
    Type: Chemical Physics Letters (ISSN 0009-2614); 200; 5; p. 502-510.
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  • 3
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    Theory and design of interferometric synthetic aperture radars (1992)
    In:  Other Sources
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    Publication Date: 2011-08-24
    Description: A derivation of the signal statistics, an optimal estimator of the interferometric phase, and the expression necessary to calculate the height-error budget are presented. These expressions are used to derive methods of optimizing the parameters of the interferometric synthetic aperture radar system (InSAR), and are then employed in a specific design example for a system to perform high-resolution global topographic mapping with a one-year mission lifetime, subject to current technological constraints. A Monte Carlo simulation of this InSAR system is performed to evaluate its performance for realistic topography. The results indicate that this system has the potential to satisfy the stringent accuracy and resolution requirements for geophysical use of global topographic data.
    Keywords: SPACECRAFT INSTRUMENTATION
    Type: IEE Proceedings, Part F: Radar and Signal Processing (ISSN 0956-375X); 139; 2, Ap
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  • 4
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    An Automated Mapping Processor Using C-Band Interferometric SAR Data (1996)
    In:  CASI
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    Publication Date: 2004-12-03
    Description: We present the description of a processor which has been implemented to generate map products starting from C-band interferometric data. The first stage of the processor consists of the conventional interferometric SAR processing producing a Digital Elevation Model (DEMs) and a SAR brightness image in sensor coordinates. In the second stage of processing, a land use classification map is obtained by using the DEM, brightness, and interferometric correlation layers. Auxiliary layers which include a drainage layer, a height gradient layer, a height error layer, an estimated penetration layer, and a shaded relief layer are also computed. In the final step, all UTM collocated layers are combined in a GIS system which allows for both hard copy map products and for digital applications.
    Keywords: Computer Operations and Hardware
    Type: Summaries of the Sixth Annual JPL Airborne Earth Science Workshop; Volume 2; 67-75; NASA/CR-96-112598
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  • 5
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    An Automated Mapping Processor using C-Band Interferometric SAR Data (1996)
    In:  CASI
    Details
    Publication Date: 2004-12-03
    Description: We describe a processor which has been implemented to generate map products starting from C-band interferometric data. The first stage of the processor consists of the conventional interferometric synthetic aperture radar (SAR) processing producing a digital elevation model (DEM) and a SAR brightness image in sensor coordinates. In the second stage of processing, a land use classification map is obtained by using the DEM, brightness, and interferometric correlation layers. Auxiliary layers which include a drainage layer, a height gradient layer, a height error layer, an estimated penetration layer, and a shaded relief layer are also computed. In the final step, all UTM collocated layers are combined in a geographical information system (GIS) which allows for both hard copy map products and digital applications.
    Keywords: Earth Resources and Remote Sensing
    Type: Summaries of the Sixth Annual JPL Airborne Earth Science Workshop, March 4-8, 1996; Volume 2; 67-75; NASA-CR-203428
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  • 6
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    On the performance of large Gaussian basis sets for the computation of total atomization energies (1992)
    In:  Other Sources
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    Publication Date: 2011-08-24
    Description: The total atomization energies of a number of molecules have been computed using an augmented coupled-cluster method and (5s4p3d2f1g) and 4s3p2d1f) atomic natural orbital (ANO) basis sets, as well as the correlation consistent valence triple zeta plus polarization (cc-pVTZ) correlation consistent valence quadrupole zeta plus polarization (cc-pVQZ) basis sets. The performance of ANO and correlation consistent basis sets is comparable throughout, although the latter can result in significant CPU time savings. Whereas the inclusion of g functions has significant effects on the computed Sigma D(e) values, chemical accuracy is still not reached for molecules involving multiple bonds. A Gaussian-1 (G) type correction lowers the error, but not much beyond the accuracy of the G1 model itself. Using separate corrections for sigma bonds, pi bonds, and valence pairs brings down the mean absolute error to less than 1 kcal/mol for the spdf basis sets, and about 0.5 kcal/mol for the spdfg basis sets. Some conclusions on the success of the Gaussian-1 and Gaussian-2 models are drawn.
    Keywords: ATOMIC AND MOLECULAR PHYSICS
    Type: Journal of Chemical Physics (ISSN 0021-9606); 97; 7; p. 5012-5018.
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  • 7
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    Extragalactic OH megamasers in strong IRAS sources (1987)
    In:  CASI
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    Publication Date: 2013-08-31
    Description: From the OH and HI survey of the strongest far infrared IRAS sources, 3 new powerful OH megamasers were discovered in Arp 143, IRAS 1510+0724 and in the uncatalogued IRAS source, IRAS 17208-0014. The HI line, the OH 1667 and 1665 MHz main lines and the 21 cm continuum observations were made with Nancy radio telescope. The optical spectra and images were obtained at the European Southern Observatory. The spectra are displayed in figures together with the main IR and OH properties of the 8 megamasers detected up to now, including IC 4553, NGC 3690 and Mrk 231, Mrk 273 and III ZW35.
    Keywords: ASTRONOMY
    Type: NASA, Washington Star Formation in Galaxies; p 597-600
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  • 8
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    A Fast Algorithm for Altimeter Waveform Retracking with Appications to the Geosat Altimeter (1994)
    In:  Other Sources
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    Publication Date: 2018-06-08
    Description: In this paper, we present a new technique for faster than real time estimation for height from altimeter waveforms using modest computer resources.
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  • 9
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    An ab initio study of the C3(+) cation using multireference methods (1991)
    In:  CASI
    Details
    Publication Date: 2019-06-28
    Description: The energy difference between the linear 2 sigma(sup +, sub u) and cyclic 2B(sub 2) structures of C3(+) has been investigated using large (5s3p2d1f) basis sets and multireference electron correlation treatments, including complete active space self consistent fields (CASSCF), multireference configuration interaction (MRCI), and averaged coupled-pair functional (ACPF) methods, as well as the single-reference quadratic configuration interaction (QCISD(T)) method. Our best estimate, including a correction for basis set incompleteness, is that the linear form lies above the cyclic from by 5.2(+1.5 to -1.0) kcal/mol. The 2 sigma(sup +, sub u) state is probably not a transition state, but a local minimum. Reliable computation of the cyclic/linear energy difference in C3(+) is extremely demanding of the electron correlation treatment used: of the single-reference methods previously considered, CCSD(T) and QCISD(T) perform best. The MRCI + Q(0.01)/(4s2p1d) energy separation of 1.68 kcal/mol should provide a comparison standard for other electron correlation methods applied to this system.
    Keywords: ATOMIC AND MOLECULAR PHYSICS
    Type: NASA-CR-189026 , NAS 1.26:189026
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  • 10
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    A search for the radio occultation flash at Jupiter (1981)
    In:  Other Sources
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    Publication Date: 2019-06-28
    Description: A focusing effect, the evolute flash, on Jupiter was sought in radio data obtained by Voyager 1 using a modified matched-filter technique. Several peaks at the 8 standard deviation level were present in the filter output, although they were separated by times up to 3.3 s and could not be identified as the flash. A lower bound on the absorption along a ray with periapsis near the 4 bar level was established at 25 dB. It is estimated that the flash would have been detected if the distance behind the planet where the spacecraft trajectory crossed the evolute were at least 20 Jupiter radii, as compared to near 7 radii in the experiment.
    Keywords: LUNAR AND PLANETARY EXPLORATION
    Type: Journal of Geophysical Research; 86; Sept. 30
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