Search results for "ORBIT"
showing 10 items of 1104 documents
Microwave and optical data fusion for global mapping of soil moisture at high resolution
2018
After more than 8 years in orbit the Soil Moisture and Ocean Salinity (SMOS) satellite is still in good health and several algorithms for improving its spatial resolution have been proposed and validated in a variety of catchments. However, none of them has yet been applied at the global scale. In this article we present: i) a review of the latest SMOS-BEC downscaling algorithm, which allows for its global application using an adaptive moving window and ii) a thorough validation of the resulting maps over two in-situ networks: REMEDHUS in Spain and OzNet in Australia. The proposed algorithm combines SMOS brightness temperatures (at ~40 km spatial resolution), and MODIS-derived Land Surface …
Phonon calculations in cubic and tetragonal phases of SrTiO3: A comparative LCAO and plane-wave study
2011
The atomic, electronic structure and phonon frequencies have been calculated in cubic and low-temperature tetragonal SrTiO${}_{3}$ phases at the ab initio level. We demonstrate that the use of the hybrid exchange-correlation PBE0 functional gives the best agreement with experimental data. The results for the standard generalized gradient approximation (PBE) and hybrid PBE0 functionals are compared for the two types of approaches: a linear combination of atomic orbitals (CRYSTAL09 computer code) and plane waves (VASP5.2 code). The relation between cubic and tetragonal phases and the relevant antiferrodistortive phase transition is discussed in terms of group theory and is illustrated with an…
A first-principles DFT study of UN bulk and (001) surface: comparative LCAO and PW calculations.
2008
LCAO and PW DFT calculations of the lattice constant, bulk modulus, cohesive energy, charge distribu- tion, band structure, and DOS for UN single crystal are analyzed. It is demonstrated that a choice of the uranium atom relativistic effective core potentials considerably affects the band structure and magnetic structure at low tem- peratures. All calculations indicate mixed metallic-covalent chemical bonding in UN crystal with U5f states near the Fermi level. On the basis of the experience accumulated in UN bulk simulations, we compare the atomic and elec- tronic structure as well as the formation energy for UN(001) surface calculated on slabs of different thickness using both DFT approach…
Theoretical study of the low‐lying states of trans‐1,3‐butadiene
1992
We present extensive ab initio calculations on the low‐lying electronic states of trans‐1,3‐butadiene within the multireference configuration interaction (MRCI) framework by selecting the configurations with a perturbative criterion. The X 1Ag ground state and 1 3Bu, 1 3Ag, 2 1Ag, and 1 1Bu valence excited states have been calculated at a fixed geometry. The results obtained are in good agreement with previous experimental and calculated values, and could help to understand polyene spectroscopy, photochemistry, and photophysics. The advantages of a MRCI method where the most important contributions to the total MRCI wave function, perturbatively selected, are treated variationally, and the …
Bartotraumatic Blowout Fracture After Sneezing: Cone Beam CT demonstration
2013
Rarely a blowout orbital fracture is related to sneezing in patients with no history of trauma or sinus surgery. A case of barotraumatic, pure and isolated blowout fracture of the right orbit after sneezing diagnosed by CBCT is reported. A forty-year-old man complained sudden right diplopia after vigorous sneezing. On MRI a reduced size and an altered shape of the right maxillary sinus, a slightly increased vertical diameter of the right orbit, a round shape of the inferior rectus muscle on coronal sections, and a right maxillary haemosinus were observed. A strong peripheral enhancement of the maxillary sinus wall was evident. One week after the patient was submitted to a maxillofacial CBCT…
Molecular orbital studies on the mechanism of catalytic isomerization of xylenes II. The photochemical process
1981
Abstract The feasibility of an intermediate step in the mechanism of photochemical isomerization of xylenes in acidic media is explored by using CNDO molecular orbital methods. Along the reaction path from 2,6-dimethylbenzenium ion to dimethylbicyclo[3.1.0]hexenyl cation, the energy surfaces for this intermediate step have been drawn both for the first singlet S1 and triplet T1 excited states. The energies of these excited states have been calculated by adding to the ground-state energy calculated by CNDO/2 method the excitation energy calculated by CNDO/S-CI method. An optimization of the saddle point energy is achieved by introducing the angle between methyl groups and the ring plane as a…
A CNDO/2 study on the additivity and the nature of the non-additivity of the substituent effects on13C NMR shifts in chlorobenzenes and chlorophenols
1980
The general correlation between the electron densities and the 13C NMR chemical shifts is found to be quite poor in the cases discussed. The non-additivities of the substituent effects on the chemical shifts and the CNDO/2 electron densities correlate only weakly. However, when the electron densities are made specific to different types of atomic orbitals, the s electrons have a pronounced effect in all the models tested. This is explained by an indirect effect on the 〈1/r3〉 term of the p electrons. Good correlations are found between the sums of the chemical shifts and the corresponding sums of the substituent charge excesses. The different behaviour of OH and Cl substituents in the additi…
ChemInform Abstract: Experimental and Theoretical Studies on the Electronic Spectra of Indole-3-acetic Acid and Its Anionic and Protonated Species.
2010
Abstract The geometrical and electronic structure of indole-3-acetic acid (IAH) have been investigated using the MINDO/3 molecular orbital method, the geometries being optimized by Rinaldi's method. The UV spectrum of IAH has been recorded in different solvents. The corresponding spectra of IAH + 2 and IA − were also respectively obtained, from IAH in different H 2 SO 4 /water mixtures and NaOH solutions. The agreement of experimental spectra with the ones theoretically calculated by the CNDO/M-Cl method after optimization of the κ parameter, is discussed. The p K a values of IAH have also been determined from the IAH + 2 spectra and are compared with literature data.
Constraining the Pre-atmospheric Parameters of Large Meteoroids: Košice, a Case Study
2016
Out of a total around 50,000 meteorites currently known to science, the atmospheric passage was recorded instrumentally in only 25 cases with the potential to derive their atmospheric trajectories and pre-impact heliocentric orbits. Similarly, while observations of meteors generate thousands of new entries per month to existing databases, it is extremely rare they lead to meteorite recovery (http://www.meteoriteorbits.info/). These 25 exceptional cases thus deserve a thorough re-examination by different techniques—not only to ensure that we are able to match the model with the observations, but also to enable the best possible interpretation scenario and facilitate the robust extraction of …
Color Doppler ultrasonography of the eye and orbit
1993
Color Doppler imaging is the recent development in ultrasonography that allows simultaneous two-dimensional structural imaging in Doppler evaluation of blood flow. With this technique, it is possible for the first time to indirectly display the fine orbital vessels such as the ophthalmic artery and its branches, the central retinal artery, the posterior ciliary artery, and the lacrimal artery. Also, the display of venous structures such as the superior ophthalmic vein, the vortex vein, and the central retinal vein is possible. In addition to the qualitative display of those vessels, the hemodynamics in those vessels can be quantitatively assessed by looking at the Doppler spectrum and deter…