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  • 1
    Electronic Resource
    Electronic Resource
    Structure-property relation in spectroscopy
    Amsterdam : Elsevier
    Journal of Molecular Structure 217 (1990), S. 335-340 
    Details
    ISSN: 0022-2860
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://linkinghub.elsevier.com/retrieve/pii/0022-2860(90)80372-Q
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  • 2
    Electronic Resource
    Electronic Resource
    Neue Bücher und Zeitschriften (1960)
    Springer
    International journal of earth sciences 49 (1960), S. 323-336 
    Details
    ISSN: 1437-3262
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01802417
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  • 3
    Electronic Resource
    Electronic Resource
    Recent investigations of surficial and deeper crustal structures of the Eastern and Southern Alps (1972)
    Springer
    International journal of earth sciences 61 (1972), S. 349-395 
    Details
    ISSN: 1437-3262
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences
    Description / Table of Contents: Abstract After a review of the surficial structures of the Eastern and Southern Alps a discussion of some important theories of the Alpidic Orogeny is presented. Geological cross sections, based as far as possible on the latest data, are then presented in detail. In the geophysical part the most important results of seismic, gravimetric and magnetic work have been compiled. Two vertical profiles through the earth's crust are presented showing lines of equal velocity of longitudinal waves.
    Abstract: Résumé Après avoir donné un aperçu sur les structures de surface des Alpes Orientales et Méridionales, les auteurs discutent quelques hypothèses importantes sur la formation alpidique des montagnes. Une description de profiles géologiques esquissés d'après les connaissances d'aujourd'hui suit cette discussion. Le chapitre sur la géophysique résume les résultats de levées sismiques, gravimétriques et magnétiques les plus importants. Deux coupes verticales à travers la croûte terrestre démontrent les lignes de vélocité égale des ondes longitudinales.
    Notes: Zusammenfassung Nach einem Überblick über die Oberflächenstrukturen der Ost- und Südalpen werden einige wichtige Theorien über die alpidische Gebirgsbildung besprochen. Es folgt eine Beschreibung geologischer Profile, die nach dem derzeitigen Kenntnisstand entworfen wurden. Im geophysikalischen Teil werden die wichtigsten Ergebnisse seismischer, gravimetrischer und magnetischer Untersuchungen zusammengefaßt. In zwei Vertikalschnitten durch die Erdkruste werden die Linien gleicher Geschwindigkeit der Longitudinalwellen dargestellt.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01896323
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  • 4
    Electronic Resource
    Electronic Resource
    DFT calculations of alternative structures in the allyl-nickel catalyzed polymerization of butadiene (1996)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 60 (1996), S. 1409-1417 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The π-allyl insertion mechanism of the 1,4-cis polymerization of butadiene by means of allyl-nickel catalysts has been studied theoretically by density functional theory (DFT) for the ligand free cationic butenyl nickel(II) complexes [Ni(C3H5)(C4H6)]+, I, [Ni(C3H5)(C4H6)(C2H4)]+, II, and [Ni(C7H11)(C4H6)]+, III. DFT energy profiles have been determined for the insertion of s-cis-butadiene into the anti-η3-butenyl nickel(II) bond in the supine and prone orientation of the reacting ligands. One of the objectives of the study was to support the proposed π-allyl insertion mechanism. With increasing size of the model compound there is better agreement between the calculated reaction and activation energies in relation to the known experimental behavior. Among the different arrangements (anti- or syn-butenyl) of the allylic end of the growing polymer chain and the relative orientation (supine or prone) of cisoid butadiene at the catalytic site, the anti-butenyl/prone reacts in compound III with a small activation barrier (8.2 kcal/mol) to the product (-5.7 kcal/mol). The stabilizing effect of the coordination of an additional double bond of the growing polymer chain for the correct description of the geometrical and energetical aspects of the insertion reaction was demonstrated by II. The results support the s-cis-butadiene insertion into the anti-η3-butenyl nickel(II) bond according to the proposed π-allyl mechanism. © 1996 John Wiley & Sons, Inc.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Lof, P.: Elsevier's periodic table of the elements. Karte 85 × 136 cm. Amsterdam Elsevier Science Publishers 1987. 17,50 $ (1988)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 330 (1988), S. 962-962 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19883300615
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  • 6
    Electronic Resource
    Electronic Resource
    MINDO/3- und MMP2-Berechnungen zur Energetik isomerer Kohlenwasserstoffe der Formel C7H8Herrn Prof. Dr. G. Zimmermann zum 60. Geburtstag gewidmet (1990)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 332 (1990), S. 519-524 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: MINDO/3 and MMP2 Calculations on the Energetics for Hydrocarbon Isomers of the Formula C7H8MINDO/3 and MMP2 calculations are reported for 10 closed shell and 3 open shell C7H8 hydrocarbons to study their stability relative to toluene. The thermodynamics of selected equilibrium gas phase reactions is discussed using the calculated heats of formation for these isomeric hydrocarbons. In agreement with experimental results toluene is the most stable isomer. The spirocompound homofulvene reacts under C—C bond scission and formation of the resonance stabilized cyclopentadienyl radical.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19903320415
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  • 7
    Electronic Resource
    Electronic Resource
    Zuordnung von Schwingungsspektren organischer Moleküle durch MNDO-BerechnungenHerrn Prof. Dr. K. Doerffel zum 60. Geburtstag gewidmet (1986)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 328 (1986), S. 97-104 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Assignment of the Vibrational Spectra of Organic Molecules by MNDO CalculationsWavenumbers and intensities of the molecular vibrations can be calculated by the semi-empirical SCF-MO method, MNDO. The calculated normal coordinates show the displacements of the atoms in the course of the vibration and provide the assignment of mode and symmetry of the vibrations. This will be shown for the following examples: acetylene, ethylene, substituted and deuterated ethylenes, acetonitrile as well as for EDA complexes. We found a good qualitative agreement between calculated and experimentally observed IR-data.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19863280112
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  • 8
    Electronic Resource
    Electronic Resource
    Computer applications in chemical research and education. Hrsg. Brandt. J.; Ugi, I. K., 449 S., 191 Abb., 31 Tab., 17 × 24,5 cm. Heidelberg: Dr. Alfred Hüthig Verlag GmbH 1989. Hard cover, 128,- DM (1990)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 332 (1990), S. 1118-1118 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19903320636
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  • 9
    Electronic Resource
    Electronic Resource
    Kinetik des Wasserstoff-Deuterium-Austausches in der Methinkette einfacher Polymethine (1978)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 320 (1978), S. 539-550 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Kinetics of Hydrogen-Deuterium-Exchange in the Methin Chain of Simple PolymethinesSimple polymethines are deuterated in the methin chains at positions of high π-electronic density. The rate constants of this reaction were determined by 1H-n.m.r. spectroscopy taking into account hydrolytic side-reactions. The rate constants of the H/D exchange correlate well with the HMO localization energies at the methin atoms concerned.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19783200406
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  • 10
    Electronic Resource
    Electronic Resource
    Beiträge zur Chemie der Alkylverbindungen von Übergangsmetallen. 62. Darstellung und NMR-spektroskopische Untersuchung von Komplexen des Tetramethyltitans (1994)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 697-702 
    Details
    ISSN: 0044-2313
    Keywords: Tetramethyltitanium complexes ; n.m.r. data ; MO calculations ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Contributions to the Chemistry of Transition Metal Alkyl Compounds. 62. Preparation and NMR-spectroscopic Characterization of Tetramethyltitanium ComplexesComplexes of tetramethyltitanium with THF and oxygen, nitrogen and phosphorous containing chelating ligands were synthesized and characterized by low temperature n.m.r. spectroscopy. The obtained complexes show a dynamic behaviour in solutions. The results of semiempirical MO calculations favour octahedral and not a trigonal prismatic configuration of the complexes.
    Notes: Komplexe des Tetramethyltitans mit THF, sowie sauerstoff-, stickstoff- und phosphorhaltigen Chelatliganden wurden synthetisiert und 1H- und 13C-NMR-spektroskopisch bei tiefen Temperaturen charakterisiert. Die erhaltenen Komplexe zeigen in Lösung ein dynamisches Verhalten. Aufgrund semiempirischer MO-Berechnungen ist einer oktaedrischen Konfiguration der Vorrang gegenüber einem trigonal-prismatischem Aufbau einzuräumen.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19946200419
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