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  • Artikel  (4)
  • Computational Chemistry and Molecular Modeling  (3)
  • Mongolia  (1)
  • 1
    Publikationsdatum: 2022-05-25
    Beschreibung: Author Posting. © The Author(s), 2014. This is the author's version of the work. It is posted here by permission of Elsevier for personal use, not for redistribution. The definitive version was published in Quaternary Science Reviews 121 (2015): 89-97, doi:10.1016/j.quascirev.2015.05.020.
    Beschreibung: Warming over Mongolia and adjacent Central Asia has been unusually rapid over the past few decades, particularly in the summer, with surface temperature anomalies higher than for much of the globe. With few temperature station records available in this remote region prior to the 1950s, paleoclimatic data must be used to understand annual-to-centennial scale climate variability, to local response to large-scale forcing mechanisms, and the significance of major features of the past millennium such as the Medieval Climate Anomaly (MCA) and Little Ice Age (LIA) both of which can vary globally. Here we use an extensive collection of living and subfossil wood samples from temperature-sensitive trees to produce a millennial-length, validated reconstruction of summer temperatures for Mongolia and Central Asia from 931 to 2005 CE. This tree-ring reconstruction shows general agreement with the MCA (warming) and LIA (cooling) trends, a significant volcanic signature, and warming in the 20th and 21st Century. Recent warming (2000-2005) exceeds that from any other time and is concurrent with, and likely exacerbated, the impact of extreme drought (1999-2002) that resulted in massive livestock loss across Mongolia.
    Beschreibung: This research was supported by the National Science Foundation under grants AGS-PRF #1137729, ATM0117442, and AGS0402474.
    Schlagwort(e): Mongolia ; Temperature ; Tree-ring ; Dendrochronology ; Reconstruction ; Global warming
    Repository-Name: Woods Hole Open Access Server
    Materialart: Preprint
    Format: application/pdf
    Standort Signatur Einschränkungen Verfügbarkeit
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  • 2
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 29 (1986), S. 1503-1512 
    ISSN: 0020-7608
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The electronic structure of 4-H-pyran-4-one and its sulfur analogues were studied using ab initio wave-functions. Bond lengths and overlap populations suggest low aromaticity for this group of compounds. Examination of Jorgensen plots of the lowest π orbitals of I--IV leads to the aromaticity order 4H-thiopyran-4-thione (IV) 〉 4H-thiopyran-4-one (II) 〉 4H-pyran-4-thione (III) 〉 4H-pyran-4-one (I). The effects of including d orbitals were studied using the 3-21G, 3-21G* (6d), and 3-21G* (5d) basis sets. Optimized bond lengths, vibrational frequencies, ionization energies, and dipole moments were also obtained, and results for different basis sets were compared.
    Zusätzliches Material: 2 Ill.
    Materialart: Digitale Medien
    Standort Signatur Einschränkungen Verfügbarkeit
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  • 3
    ISSN: 0020-7608
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The electronic structure of the polyhedral carboranes 1,5-dicarba-closo-pentaborane(5) and 1,5-dicarba-closo-pentaborane(3) is studied using ab initio calculations, and compared to that of their hydrocarbon analogs bicyclo[1.1.1]pentane and [1.1.1]propellane, respectively. The high symmetry and common topology of the carborane-hydrocarbon structural analogs force similar bonding patterns, and the carboranes show a unique three-center, two-electron CBC bond not previously observed in these species. This three-center bond is formally analogous to the σ-bridged-π bond in the hydrocarbons, but its strength is low and its C—C bond long. Analysis of the bonding in these carboranes along with that in 1,3-diborabicyclo[1.1.1]pentane, another[1.1.1]propellane analog, shows that the strength of their three-center bonds is directly related to the nature of the bridging group, but is independent of the type of bridgehead atom. 1,3-Diboretene, the carborane analog of bicyclo[1.1.0]butane, is also found to exhibit a similar bonding pattern to its hydrocarbon analog and to possess a CBC bond.
    Zusätzliches Material: 13 Ill.
    Materialart: Digitale Medien
    Standort Signatur Einschränkungen Verfügbarkeit
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  • 4
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 49 (1994), S. 253-277 
    ISSN: 0020-7608
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: This article addresses the chemical aspects of electronegativity: (1) What is its present status in the chemical community? (2) What are the necessary chemical criteria for a quantitative definition? (3) To what extent do contemporary proposals satisfy these criteria? (4) What connection can be made between the traditional free-atom scales and an in situ electronegativity appropriate for a particular atom in a specific molecule or solid? A longstanding special feature of electronegativity has been the seeming inability to measure it in the laboratory and this aspect proves to be a key to its definition. © 1994 John Wiley & Sons, Inc.
    Zusätzliches Material: 5 Ill.
    Materialart: Digitale Medien
    Standort Signatur Einschränkungen Verfügbarkeit
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