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  • 1
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 1821-1825 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 4 (1990), S. 355-360 
    ISSN: 0886-9383
    Keywords: Pattern recognition ; U.K. chemometrics usage ; Quantitative structure-activity relationships ; Artificial intelligence ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A survey of members of the U.K. QSAR Discussion Group has been made to determine the extent of use and development of chemometric and artificial intelligence (AI) methods in the analysis of multivariate quantitative structure-activity relationship (QSAR) data in the U.K. Chemometric methods were found to be well established in both industrial and educational establishments and there was significant method development occurring. AI methods were not employed to any great extent and the general level of interest in these techniques was low compared to chemometric methods. A requirement for more education in multivariate statistical methods and regression methods was indicated. A need for a user-friendly, comprehensive, commercially available multivariate statistical package containing multivariate stability testing and regression diagnostic methods was identified.
    Additional Material: 1 Ill.
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  • 3
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 2 (1988), S. 297-297 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 189-198 
    ISSN: 0886-9383
    Keywords: Robust regression ; Partial least squares ; QSAR ; Perturbation study ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A robust partial least squares (PLS) regression algorithm is developed. This is achieved by substitution of the univariate regression steps in the iterative PLS2 algorithm by a robust alternative. The angle between loading vectors from both perturbed and unperturbed solutions is used as a measure of robustness. By means of a perturbation study on a structure-activity data set, it is demonstrated that the stability of the robust method is superior to standard PLS.
    Additional Material: 4 Ill.
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  • 5
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Rapid Communications in Mass Spectrometry 3 (1989), S. 155-159 
    ISSN: 0951-4198
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Physics
    Notes: A new time-of-flight mass analyser compatible with conventional continuous ionization methods is described. A mass resolution at m/z 2000 of m/Δm〉2000 (50% valley) is predicted for the instrument which is presently being prototyped. Sensitivity advantages over scanning instruments are also predicted for this instrument.
    Additional Material: 4 Ill.
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  • 6
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    Journal of Polymer Science 17 (1955), S. 311-314 
    ISSN: 0022-3832
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 17 (1982), S. 81-85 
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Phenol and five acyclic isomeric compounds have been investigated using electron impact and field ionization techniques, mass analysed ion kinetic energy spectrometry and collision induced dissociation mass analysed ion kinetic energy spectrometry. The kinetic energy release data corresponding to the elimination of carbon monoxide from the molecular ions show that at least two structures of the reactant ion are involved. The electron impact and field ionization collision induced dissociation mass analysed ion kinetic energy spectra indicate that under electron impact conditions, the phenol ion partially isomerizes to another ion structure. An isomerization of about 40% to the structure of cis-2-hexen-4-yn-1-al is in good accordance with the spectral data.
    Additional Material: 3 Ill.
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  • 8
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 282 (1955), S. 24-28 
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Tristrifluoromethyl antimony dichloride, (CF3)3SbCl2, reacts with water to give mono- and dihydrates. A solution of tristrifluoromethyl antimonic acid H(CF3)3Sb(OH)3 may also be isolated. It is a strong monobasic acid which is fairly stable to alkaline hydrolysis. The pyridinium salt has been isolated and with hydrochloric and hydrobromic acids gives derivatives of the type C5H5NH(CF3)3SbX3 (X = Cl, Br).
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 1 (1968), S. 13-29 
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mass spectra of a variety of alkyl and aryl oxazoles have been determined and the spectra analyzed with the aid of deuterium labelling and high resolution mass spectrometry. In contrast to the corresponding benzenoid compounds, the mass spectra of isomeric alkyl oxazoles are distinctive and in this respect are akin to those of the corresponding pyridines. Further analogy to the pyridines is suggested by the unfavorable nature of a carbonium ion adjacent to the 2-position and this effect may be used to locate alkyl substituents attached to the oxazole nucleus. The loss of carbon monoxide from the molecular ions of 2,5-disubstituted oxazoles probably occurs with ring opening and migration of the C-5 substituent (e.g.Br) to the C-4 position.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 2 (1969), S. 1061-1065 
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Hydrozen randomization precedes the formation of M+· — H· and M+· — CH3· species from the stilbene molecular ion at 15 eV. The carbon atom involved in the M+· — CH3· elimination originates randomly from the whole molecule. The [M — 15] ion (m/e 165) in the spectra of stilbene and 9,10-dihydrophenanthrene is produced from a common ion.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
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