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  • 11
    ISSN: 1365-2133
    Quelle: Blackwell Publishing Journal Backfiles 1879-2005
    Thema: Medizin
    Materialart: Digitale Medien
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  • 12
    Digitale Medien
    Digitale Medien
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 26 (1993), S. 453-457 
    ISSN: 1600-5767
    Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Thema: Geologie und Paläontologie , Physik
    Notizen: MEED (maximum-entropy electron density) is a program package to calculate the electron-density distribution from a set of structure-factor data by the maximum-entropy method. MEED is an upgraded version of the original maximum-entropy program, MEMTARO, which was used in the first study to use the maximum-entropy method (MEM) on silicon [Sakata & Sato (1990). Acta Cryst. A46, 263–270]. MEED is applicable to any space group and can cope with both single-crystal and powder X-ray diffraction data, whereas MEMTARO can only after modification. Another upgraded feature is the speed of calculation. By employing a new algorithm, MEED is much faster than MEMTARO for the same calculation. Computing time depends on various factors, such as the number of reflection data, accuracy of data and the number of symmetry operations. It is estimated that MEED is typically 100 times faster than MEMTARO. In an extreme case like the beryllium powder-data case, MEED is 600 times faster than MEMTARO. MEED is coded in Fortran77 for both a scaler computer, FACOM M780, and a vector computer, FACOM VP2600, which are mainframe computers at the Computation Center of Nagoya University. MEED enables the electron-density distribution to be calculated for any crystalline material, with a fine pixel size, e.g. with 128 × 128 × 128 pixels to a unit cell, provided that accurate diffraction data are available. MEED can overcome, to some extent, one of the biggest drawbacks of MEM analysis, the vast computing time required.
    Materialart: Digitale Medien
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  • 13
    ISSN: 1572-879X
    Schlagwort(e): Biphenyl ; 4,4′-diisopropylbiphenyl ; highly dealuminated H-mordenite ; shape-selective isopropylation ; isomerization
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract A highly dealuminated H-mordenite (H-M) catalyzed the selective isopropylation of biphenyl to 4,4′-diisopropylbiphenyl (4,4′-DIPB). The high selectivity is ascribed to the shape-selective catalysis in mordenite pores. The selectivity of 4,4′-DIPB decreased during the isopropylation of biphenyl due to isomerization of 4,4′-DIPB under low propylene pressure. The increase of propylene pressure suppressed the isomerization in the isopropylation. 4,4′-DIPB itself was isomerized over highly dealuminated H-M under low propylene pressure.
    Materialart: Digitale Medien
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  • 14
    ISSN: 1572-879X
    Schlagwort(e): shape-selective catalysis ; biphenyl ; isopropylation ; H-mordenite ; carbonaceous deposits ; encapsulated biphenyls
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract To understand the relationships between shape-selectivity and coke deposition in the alkylation of biphenyl over H-mordenite (HM), thermogravimetric analyses were examined for the catalyst after the reaction. The coke deposition during the catalysis was very severe over HM with low SiO/Al2O3 ratio, however, dealumination enhanced the decrease of coke deposition. Over highly dealuminated HM, volatile organic compounds, mainly biphenyl derivatives, were observed in addition to carbonaceous deposits. The deposits are produced from biphenyl derivatives on acid sites in the HM pore, and the ease of their formation is governed by acid site density and acid strength. The decrease of carbonaceous deposits and the increase of encapsulated biphenyl derivatives are related with the increase of both selectivity and yield of 4,4′-diisopropylbiphenyl (4,4′-DIPB). The increase of reaction temperature up to 250°C enhanced the catalysis over highly dealuminated HM, however, further increase of the temperature resulted in extensive decrease of the selectivity of 4,4′-DIPB. Coke deposition also increased with the temperature although its level was low. The composition of 4,4′-DIPB in encapsulated DIPB isomers remained as high as 80% in spite of a change of the distribution of bulk products.
    Materialart: Digitale Medien
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  • 15
    Digitale Medien
    Digitale Medien
    Springer
    Catalysis letters 29 (1994), S. 69-75 
    ISSN: 1572-879X
    Schlagwort(e): vinylation ; bromobiphenyls ; nickel catalyst ; phosphine ligand
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract The vinylation of 4-bromo-4′-hydroxybiphenyl and ethyl acrylate was studied using the catalyst NiCl2-H2O/PPh3 in the presence of inorganic base. Ethyl 4-(4′-hydroxyphenyl)cinnamate was formed as vinylation product with a selectivity as high as 98%. The effect of solvent, ligand and base for some halides was examined to show the applicability of the catalyst system.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 16
    ISSN: 1572-879X
    Schlagwort(e): Shape-selective catalysis ; biphenyl ; isopropylation ; cerium exchanged sodium mordenite ; H-mordenite ; propylene pressure
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract Liquid phase isopropylation of biphenyl with propylene was studied over a cerium exchanged sodium mordenite (Ce/NaM25) and a H-mordenite (HM25) with the same SiO2/Al2O3 ratio of 25. Shape-selective catalysis occurred to give 4,4′-diisopropylbiphenyl (4,4′-DIPS) in high selectivity over Ce/NaM25 under any propylene pressures. HM25 gave 4,4′-DIPS shape-selectively under high propylene pressures. However, the reaction was severely deactivated at a conversion of ca. 60% under such a low pressure as 0.8 kg/cm2 because of coke formation in the pore. The yields of 4-isopropylbiphenyl (4-IPBP) and 4,4′-DIPB decreased with the increase of those of 3-IPBP and 3,4′-DIPB because of non-selective alkylation and isomerization at external acid sites that are alive in spite of severe deactivation. No significant isomerization of 4,4′-DIPB over Ce/NaM25 was observed even at low propylene pressure. In the case of HM25, the isomerization of 4,4′-DIPB to 3,4′-DIPB occurred significantly under low propylene pressures, while it decreased under high pressure. These differences are ascribed to the differences of nature of acid sites between Ce/NaM25 and HM25 zeolites.
    Materialart: Digitale Medien
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  • 17
    ISSN: 1432-1106
    Schlagwort(e): Multi-unit activity ; Conditioning and learning ; Neural basis of learning ; Limbic functions ; Caudate nucleus ; Medial dorsal thalamic nucleus ; Behaving rabbits
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Medizin
    Notizen: Summary This study extends an ongoing analysis of the neural mediation of discriminative avoidance learning in rabbits. Electrolytic lesions encompassing anterior and posterior cingulate cortex (area 24 and 29) or ibotenic acid lesions in area 24 only were made prior to avoidance conditioning wherein rabbits learned to step in response to a tone conditional stimulus (CS+) in order to avoid a brief, response-terminated 1.5 mA. foot-shock unconditional stimulus (US). The US was presented 5 s after CS+ onset, in the absence of a prior stepping response. The rabbits also learned to ignore a different tone (CS-) not followed by the US. Multi-unit activity of the caudate and medial dorsal (MD) thalamic nuclei, projection targets of the cingulate cortex, was recorded during learning in all rabbits. Activity was also recorded in area 29 in the rabbits with area 24 lesions. Learning in rabbits with combined lesions was severely impaired and it was moderately retarded after lesions in area 24. MD thalamic and caudate training-induced neuronal discharge increments elicited by the CS+ were enhanced in rabbits with lesions, suggesting a suppressive influence of cingulate cortical projections on this activity. Early-, but not late-developing training-induced unit activity in area 29c/d was absent in rabbits with area 24 lesions, indicating that area 24 is a source of early-developing area 29 plasticity. These results are consistent with hypotheses of a theoretical working model, stating that: a) learning depends on the integrity of two functional systems, a mnemonic recency system comprised by circuitry involving area 24 and the MD nucleus and a mnemonic primacy system comprised by circuitry involving area 29 and the anterior thalamic nuclei; b) corticothalamic information flow in these systems suppresses thalamic CS elicited activity in trained rabbits; c) corticostriatal information flow is involved in avoidance response initiation. An absence of rhythmic theta-like neuronal bursts in area 29b in rabbits with area 24 lesions is attributable to passing fiber damage.
    Materialart: Digitale Medien
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