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  • 1
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    The geomorphology, color, and thermal properties of Ryugu: Implications for parent-body processes (2019)
    American Association for the Advancement of Science (AAAS)
    Details
    Publication Date: 2019
    Description: 〈p〉The near-Earth carbonaceous asteroid 162173 Ryugu is thought to have been produced from a parent body that contained water ice and organic molecules. The Hayabusa2 spacecraft has obtained global multi-color images of Ryugu. Geomorphological features present include a circum-equatorial ridge, east/west dichotomy, high boulder abundances across the entire surface, and impact craters. Age estimates from the craters indicate a resurfacing age of 〈f〉〈/f〉 years for the top 1-meter layer. Ryugu is among the darkest known bodies in the Solar System. The high abundance and spectral properties of boulders are consistent with moderately dehydrated materials, analogous to thermally metamorphosed meteorites found on Earth. The general uniformity in color across Ryugu’s surface supports partial dehydration due to internal heating of the asteroid’s parent body.〈/p〉
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Natural Sciences in General
    Published by American Association for the Advancement of Science (AAAS)
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  • 2
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    Detailed images of asteroid 25143 Itokawa from Hayabusa (2006)
    American Association for the Advancement of Science (AAAS)
    Details
    Publication Date: 2006-06-03
    Description: Rendezvous of the Japanese spacecraft Hayabusa with the near-Earth asteroid 25143 Itokawa took place during the interval September through November 2005. The onboard camera imaged the solid surface of this tiny asteroid (535 meters by 294 meters by 209 meters) with a spatial resolution of 70 centimeters per pixel, revealing diverse surface morphologies. Unlike previously explored asteroids, the surface of Itokawa reveals both rough and smooth terrains. Craters generally show unclear morphologies. Numerous boulders on Itokawa's surface suggest a rubble-pile structure.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Saito, J -- Miyamoto, H -- Nakamura, R -- Ishiguro, M -- Michikami, T -- Nakamura, A M -- Demura, H -- Sasaki, S -- Hirata, N -- Honda, C -- Yamamoto, A -- Yokota, Y -- Fuse, T -- Yoshida, F -- Tholen, D J -- Gaskell, R W -- Hashimoto, T -- Kubota, T -- Higuchi, Y -- Nakamura, T -- Smith, P -- Hiraoka, K -- Honda, T -- Kobayashi, S -- Furuya, M -- Matsumoto, N -- Nemoto, E -- Yukishita, A -- Kitazato, K -- Dermawan, B -- Sogame, A -- Terazono, J -- Shinohara, C -- Akiyama, H -- New York, N.Y. -- Science. 2006 Jun 2;312(5778):1341-4.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Hayabusa Project Team, Institute of Space and Astronautical Sciences (ISAS), Japan Aerospace Exploration Agency (JAXA), 3-1-1 Yoshinodai, Sagamihara, Kanagawa 229-8510, Japan. saitoj@planeta.sci.isas.jaxa.jp〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/16741110" target="_blank"〉PubMed〈/a〉
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
    Published by American Association for the Advancement of Science (AAAS)
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  • 3
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    The geomorphology, color, and thermal properties of Ryugu: Implications for parent-body processes (2019)
    American Association for the Advancement of Science (AAAS)
    In: Science
    Details
    Publication Date: 2019
    Description: 〈p〉The near-Earth carbonaceous asteroid 162173 Ryugu is thought to have been produced from a parent body that contained water ice and organic molecules. The Hayabusa2 spacecraft has obtained global multicolor images of Ryugu. Geomorphological features present include a circum-equatorial ridge, east-west dichotomy, high boulder abundances across the entire surface, and impact craters. Age estimates from the craters indicate a resurfacing age of 〈f〉〈/f〉 years for the top 1-meter layer. Ryugu is among the darkest known bodies in the Solar System. The high abundance and spectral properties of boulders are consistent with moderately dehydrated materials, analogous to thermally metamorphosed meteorites found on Earth. The general uniformity in color across Ryugu’s surface supports partial dehydration due to internal heating of the asteroid’s parent body.〈/p〉
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
    Published by American Association for the Advancement of Science (AAAS)
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  • 4
    Electronic Resource
    Electronic Resource
    Formulation of molecular integrals over Gaussian functions treatable by both the Laplace and Fourier transforms of spatial operators by using derivative of Fourier-kernel multiplied Gaussians (1991)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 94 (1991), S. 3790-3804 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: General recurrence formulas for molecular integrals over Gaussian functions are derived by introducing the derivative of Fourier-kernel multiplied Gaussians (DFGs). The DFG allows us to formulate on the same ground molecular integrals over the Cartesian Gaussians, modified Hermite Gaussians, and the Gaussians multiplied by phase factors exp[ik⋅(r−R)] with spatial operators including any number of both the Laplace and Fourier transforms for one- and two-electron spatial operators. Thus the present formulation has a wider applicability than that given by Obara and Saika [J. Chem. Phys. 89, 1540(1988)], where the basis functions are the Cartesian Gaussians and the spatial operators are those in the Laplace transform with at most one kernel of the Fourier transform. Furthermore the present formulation inherits the characteristic features of the above one, such as being capable of dealing with (1) molecular integrals with both nonrelativistic and relativistic spatial operators, (2) any order of the derivative of these integrals with respect to the function centers, and (3) leading us to the efficient scheme of computing the integrals by virtue of the recursive nature of the formulation.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.459751
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  • 5
    Electronic Resource
    Electronic Resource
    Excited and ionized states of aniline: Symmetry adapted cluster configuration interaction theoretical study (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 2045-2052 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Singlet excited states and ionized states of aniline are studied by the symmetry adapted cluster/configuration interaction method. Absorption bands of states that have mainly π–π* nature are assigned as 1A″ (∼1B2), 1A′ (∼1A1), 1A″ (∼1B2), 1A′ (∼1A1), 1A″ (∼1B2) in increasing-energy order. An s-Rydberg state is predicted to lie between the first and second valence states, in agreement with recent experimental results. The lowest band has a charge-resonance character with a slight charge-transfer (CT) character (CT is defined as NH2→C6H5); third and fifth valence bands have back-CT (BCT) nature, and second and fourth are local excitations within the benzene ring. The extent of CT of excited states depends on amino group conformation. In the planar form, CT characters of several states were altered; however, spectral shapes are very similar to that of the equilibrium form. On the other hand, amino group twisting altered both the spectrum and nature of excited states. Third and fourth lowest valence states exhibited strong CT character, while fifth to eighth states are of the strong BCT type, implying that the CT nature of excited states of aniline can be changed by amino group twisting. For ionized states, the lowest three states are assigned to 2A′ (∼2B1), 2A″ (∼2A2), 2A′ (∼2B1) in increasing-energy order, all being π-ionizations. The sixth one is also due to π-ionization (∼2B1) and the others are σ-ionizations. Ordering was the same as Koopmans' case. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1487827
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  • 6
    Electronic Resource
    Electronic Resource
    Sound absorption in nonelectrolyte aqueous solutions (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 115 (2001), S. 7575-7585 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We indicate that the curve fitting for Debye-type relaxation spectrum of sound absorption (SA) cannot sufficiently account for the observed data of nonelectrolyte aqueous solutions (NEAS). To solve these problems, we introduce the distribution function of relaxation time [DFRT, F(τ)] from a diffusion equation of concentration fluctuations using the fluctuation dispersion theory. The SA expression is described by four-adjustable parameters. By use of the mixtures of 1-propanol, t-butanol, and monobutyl triethylene glycol with water, our calculation of SA shows the best fit between the observed and calculated curves, compared with other models. It was found that at lower frequencies the SA behaves as the square root of frequency. The approximate expression of DFRT was expressed in terms of a power law of relaxation time, F(τ)∝τ−γ, which is the same as the expression of dielectric relaxation by Matsumoto and Higashi. Our exponent (γ) of relaxation time is varied from 5/2 in hydrophilic solutes to 3/2 in hydrophobic solutes. The power (γ) of relaxation time was regarded as a parameter to explain the hydrophobic and hydrophilic in the dissolved states of a solute. Our SA expression of γ=5/2 for solutes of a small correlation length leads to that of Romanov–Solov'ev, where the value of 5/2 is that of the Debye distribution for the relaxation time in the Romanov–Solov'ev model. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1405448
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  • 7
    Electronic Resource
    Electronic Resource
    Theoretical study on electronic excitation spectra of Mo and Re cluster complexes: [(Mo6Cl8)Cl6]2− and [(Re6S8)Cl6]4− (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 114 (2001), S. 10791-10797 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We report here on the electronic structures of [(Mo6Cl8)Cl6]2− and [(Re6S8)Cl6]4− obtained by the Tamm–Dankoff configuration interaction approximation, where Darwin and mass-velocity terms are taken into account through the model core potentials, and the spin–orbit interaction term is included in a semiempirical manner. These complexes have absorption spectra ranging from the visible to the near-ultraviolet energy region and have the long-lived luminescence. The calculated results of the transition moments roughly reproduce the experimental absorption and emission spectra. Especially for the absorption spectra, the theoretical strong intensity for the region higher than 4.5 eV in the two complexes is in good agreement with the experimental results. The obtained intense peak at 3.9 eV may correspond to the experimental broad peak at approximately 3.6 eV for the Mo complex. For the Re complex, the calculated intensity distribution gives one broad peak at around 3.1 eV. This peak may correspond to the experimental peak at 2.9 eV. In the experimental emission spectra, the maxima are located at 1.62 eV for the Mo complex and approximately 1.8 eV for the Re complex. Theoretically, 12 and eight states are found in the energy range between 1.5 and 2.0 eV for the Mo and Re complexes, respectively. At least one, if not more, of these states would be responsible for each emission maximum. To determine the character of the above transitions, the absorption and emission transitions were experimentally shown to be ligand-to-metal charge-transfer transitions and metal-localized transitions, respectively. Theoretically, absorption transitions were characterized as a mixture of metal-localized transitions and ligand-to-metal charge-transfer transitions, and emission transitions a mixture of metal-localized transitions and metal-to-ligand charge-transfer transitions. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1373425
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  • 8
    Electronic Resource
    Electronic Resource
    An effective potential function with enhanced charge-transfer-type interaction for hydrogen-bonding liquids (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 3558-3569 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The potential energy function (PEF) has been derived to perform the liquid simulations using the Monte Carlo method for three hydrogen-bonding systems, water, hydrogen fluoride, and ammonia. The PEF is a pair potential function of the overlap integrals between molecules and of the Coulomb interactions between atomic fractional charges. The parameters of the PEF are easily determined in order to reproduce the ab initio pair interaction energies. The lack of many-body interactions, however, prevents the reproduction of the liquid structures. The PEF consists of some physically meaningful terms, and using the characteristics of the function, it is found that the enhancement of a component in the PEF reasonably succeeds in producing the liquid structures. The general procedure for obtaining an effective pair potential function for the hydrogen-bonding systems is reported by a simple modification to the PEF. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1495851
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  • 9
    Electronic Resource
    Electronic Resource
    Molecular integrals evaluated over contracted Gaussian functions by using auxiliary contracted hyper-Gaussian functions (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 1457-1469 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: General recurrence formulas for evaluating molecular integrals over contracted Cartesian Gaussian functions are derived by introducing auxiliary contracted hyper-Gaussian (ACH) functions. By using a contracted Gaussian function, this ACH represents an extension of the Gaussian function named derivative of Fourier-kernel multiplied Gaussian [J. Chem. Phys. 94, 3790 (1991)]. The ACH is reducible to contracted Cartesian Gaussian functions, contracted modified Hermite Gaussian functions, and to contracted Gaussian functions multiplied by phase factors, or the so-called GIAO, and is also reducible to various spatial operators necessary for ab initio molecular orbital calculations. In our formulation, all molecular integrals are expressed in terms of ACH. Therefore, the formulations have wide applicability for calculating various kinds of molecular integrals in ab initio calculations. Recursive calculations based on our formulation do not depend on the number of contraction terms, because the contraction step is completed at the evaluation of the initial integrals. Therefore, we expect that more efficient recursive calculations will be accomplished by using our formulas for evaluating molecular integrals over contracted Gaussian functions. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1485958
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  • 10
    Electronic Resource
    Electronic Resource
    Absorption of far-infrared radiation by alkali halide aqueous solutions (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 102 (1995), S. 6208-6211 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The absorption of radiation in the frequency range 10–80 cm−1 by 2 mol/l electrolyte solutions has been investigated. The absorption at low frequencies below 20 cm−1 is dominantly attributed to the dielectric relaxation of water dipole. At frequencies higher than 40 cm−1, resonance absorption by ion oscillation in a potential well formed by surrounding water molecules comes to contribute to the absorption. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.469066
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