Library

feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
Filter
  • 1995-1999  (3)
Material
Years
Year
  • 1
    Electronic Resource
    Electronic Resource
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 52 (1996), S. 535-549 
    ISSN: 1600-5740
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The rapid growth of crystallographic databases has created a demand for novel and efficient techniques for the analysis of molecular conformations, in order to derive new concepts and rules and to generate useful classifications of the available data. This paper presents a conceptual clustering approach, termed IMEM (image memory), which discovers the conformational diversity present in a dataset of crystal structures. In contrast to numerical clustering methods, IMEM views a molecular structure as comprising qualitative relationships among its parts, i.e. the structure is viewed as a molecular scene. In addition, IMEM does not require the user to have any a priori knowledge of an expected number of conformational classes within a given dataset. The IMEM approach is applied to several datasets derived from the Cambridge Structural Database and, in all cases, chemically correct and sensible conformational classifications were discovered. This is confirmed by a rigorous comparison of IMEM results with published conformational data obtained by energy-minimization and numerical clustering methods. Conformational analysis tools have an important part to play in the conversion of raw molecular databases to knowledge bases.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
  • 2
    ISSN: 1432-0967
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences
    Notes: Abstract  Rb-Sr isotopic dating of phlogopite megacryst samples separated from Sturgeon Lake kimberlite, Saskatchewan, yields a crystallization age of 98±1 Ma (2 σ, MSWD=1.2; 87Sr/86Sr(t)=0.7059). The 40Ar/39Ar analyses of a phlogopite megacryst sample indicate the presence of large amounts of excess 40Ar and yield an excessively old age of ∼410 Ma. Assessment of the Ar data using isotope correlation plots indicates clustering of the data points about a mixing line between the radiogenic 40Ar component at 98 Ma and a trapped component with uniform 36Ar/40Ar and Cl/40Ar. Values of δ 18O as high as +20‰ (VSMOW) for calcite from the groundmass and a whole-rock sample indicate pervasive low-temperature alteration. The δ 13C of matrix carbonate is −11.3‰ (PDB), slightly lighter than typical values from the literature. The δ 18O values of about +5‰ (VSMOW) for brown phlogopite megacrysts may be primary, green phlogopites are interpreted to be an alteration product of the brown variety and are 2‰ heavier. Initial Nd-Sr-Pb isotopic ratios for a whole-rock sample (ɛ Nd=+0.8; 87Sr/86Sr=0.7063, 206Pb/204Pb=18.67, 207Pb/204Pb=15.54, 208Pb/204Pb=38.97) suggest an affinity with group I kimberlites. Initial ɛ Nd values of +1.7 and +0.5 (87Sr/86Sr(t)=0.7053 and 0.7050) for eclogitic and lherzolitic garnet megacryst samples, and values of 0.0 for two phlogopite megacryst samples reflect an origin from an isotopically evolving melt due to assimilation of heterogeneous mantle. Lilac high-Cr lherzolitic garnet megacrysts give an unusually high ɛ Nd(98. Ma) of +28.6 (87Sr/86Sr=0.7046) indicating a xenocrystic origin probably from the lithospheric mantle. The very radiogenic 87Sr/86Sr and 206Pb/204Pb ratios of the kimberlite are consistent with melting of EM II (enriched) mantle components.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
  • 3
    ISSN: 1432-0967
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences
    Notes: Abstract Rb-Sr isotopic dating of phlogopite megacryst samples separated from Sturgeon Lake kimberlite, Saskatchewan, yields a crystallization age of 98±1 Ma (2 σ, MSWD=1.2; 87Sr/86Sr(t)=0.7059). The 40Ar/39Ar analyses of a phlogopite megacryst sample indicate the presence of large amounts of excess 40Ar and yield an excessively old age of ∼410 Ma. Assessment of the Ar data using isotope correlation plots indicates clustering of the data points about a mixing line between the radiogenic 40Ar component at 98 Ma and a trapped component with uniform 36Ar/40Ar and Cl/40Ar. Values of {ie212-1} as high as +20%. (VSMOW) for calcite from the groundmass and a whole-rock sample indicate pervasive lowtemperature alteration. The {ie212-2} of matrix carbonate is-11.3%. (PDB), slightly lighter than typical values from the literature. The {ie212-3} values of about +5%. (VSMOW) for brown phlogopite megacrysts may be primary, green phlogopites are interpreted to be an alteration product of the brown variety and are 2%. heavier. Initial Nd-Sr-Pb isotopic ratios for a whole-rock sample {ie212-4}; 87Sr/86Sr=0.7063, 206Pb/204Pb=18.67, 207Pb/204Pb=15.54, 208Pb/204Pb=38.97) suggest an affinity with group I kimberlites. Initial {ie212-5} values of +1.7 and +0.5 (87Sr/ 86Sr(t)=0.7053 and 0.7050) for eclogitic and lherzolitic garnet megacryst samples, and values of 0.0 for two phlogopite megacryst samples reflect an origin from an isotopically evolving melt due to assimilation of heterogeneous mantle. Lilac high-Cr lherzolitic garnet megacrysts give an unusually high {ie212-6} of +28.6 (87Sr/86Sr=0.7046) indicating a xenocrystic origin probably from the lithospheric mantle. The very radiogenic 87Sr/86Sr and 206Pb/204Pb ratios of the kimberlite are consistent with melting of EM II (enriched) mantle components.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...