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  • 3-nitropyrazole  (1)
  • Column liquid chromatography  (1)
  • Indazole derivatives  (1)
  • 1
    Electronic Resource
    Electronic Resource
    Energy calculations and computer modeling of chromatographic separations on microcrystalline cellulose triacetate (1989)
    Springer
    Chromatographia 27 (1989), S. 77-81 
    Details
    ISSN: 1612-1112
    Keywords: Column liquid chromatography ; Microcrystalline cellulose triacetate ; Molecular modeling ; Computer graphics
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary Molecular modeling and energy calculations have been used to study the chromatographic separation of aromatic compounds on microcrystalline cellubose triacetate. A linear relationship has been found between the logarithms of the capacity factors and the energy values of the interaction of these compounds with this stationary phase. The interaction energies have been calculated for two different spatial dispositions of the solutes in relation to the sorbent.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02290410
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Structure of 3-nitropyrazole in solution and in the solid state (1997)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 10 (1997), S. 637-645 
    Details
    ISSN: 0894-3230
    Keywords: 3-nitropyrazole ; structure ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: ---The molecular and crystal structure of 3-nitropyrazole was determined by X-ray analysis. The triclinic unit cell contains 12 molecules which form four hydrogen-bonded (N - H···N) trimers. Each trimer comprises of pseudo-ring in a flattened envelope distorted towards a chair conformation. The crystal packing consists of layers formed by centrosymmetric related trimers joined through C - H···O interactions. Ab initio calculations were performed on 3(5)-nitro- and 4-nitropyrazole and their corresponding protonated forms up to the MP2/6-31G** level of theory. The origin of the difference in aqueous basicities between both nitropyrazoles is discussed. © 1997 John Wiley & Sons, Ltd.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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    Paper (German National Licenses)
  • 3
    Electronic Resource
    Electronic Resource
    13C nuclear magnetic resonance studies of pyrazolo[α]-9(10H)-acridinones (1991)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 29 (1991), S. 638-640 
    Details
    ISSN: 0749-1581
    Keywords: Pyrazolo[a]-9(10H)-acridinones ; 2-Ethylthiazolo[4,5-a]-9-acridinone ; Indazole derivatives ; 13C NMR ; δ and J values ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 13C NMR chemical shifts of six pyrazolo[a]-9(10H)-acridinones are reported; they were assigned on the basis of multiplicities, carbon-proton coupling constants, selective proton decoupling experiments and comparison with related substances.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1260290618
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    Paper (German National Licenses)
    Fulltext
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