@article{SuterHuangEngels1994,
  author    = {Suter, H. U. and Huang, M.-B. and Engels, Bernd},
  title     = {A Multireference Configuration Interaction Study of the Hyperfine Structure of the Molecules CCO, CNN and NCN in their triplet ground states},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-59108},
  year      = {1994},
  abstract  = {The hyperfine structures of the isoelectronic molecules CCO. CNN, and NCN in their triplet ground states (X\(^3 \sum ^-\)) are investigated by means of ab initio methods. The infrared frequencies and geometries are detennined and compared with experiment. Configuration selected multireference configuration interaction calculations in combination with perturbation theory to correct the wave function (MRD-CI/B\(_K\)) employing extended atomic orbital (AO) basis sets yielded very accurate hyperfine properties. The theoretical values for CCO are in excellent agreement with the experimental values determined by Smith and Weltner [J. Chem. Phys. 62,4592 (1975)]. For CNN, the first assignment of Smith and Weltner for the two nitrogen atoms has to be changed. A qualitative discussion of the electronic structure discloses no simple relation between the structure of the singly occupied orbitals and the measured hyperfine coupling constants. Vibrational effects were found to be of little importance.},
  subject      = {Organische Chemie},
  language  = {en}
}
@article{FroudakisZdetsisMuehlhaeuseretal.1994,
  author    = {Froudakis, G. and Zdetsis, A. and M{\"u}hlh{\"a}user, M. and Engels, Bernd and Peyerimhoff, S. D.},
  title     = {A comparative ab initio study of the Si\(_2\)C\(_4\), Si\(_3\)C\(_3\), Si\(_4\)C\(_2\) clusters},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-59097},
  year      = {1994},
  abstract  = {Various structural possibilities for the Si\(_2\)C\(_4\) and Si\(_4\)C\(_2\) clusters are investigated by employing a basis set of triple-zeta plus polarization quality; electron correlation is generally accounted for by second-order M0ller-Plesset and, in certain instances, by higher-order perturbation (CASPT2) approaches. The building-up principle recently suggested from an analysis of Si\(_3\)C\(_3\) clusters is found to be fully operative for Si\(_2\)C\(_4\) and Si\(_4\)C\(_2\) clusters. A comparison of the structure and stability of various geometrical arrangements in the series C\(_6\) , Si\(_2\)C\(_4\) , Si\(_3\)C\(_3\) , Si\(_4\)C\(_2\), and Si\(_6\) shows that linear and planar structures become rapidly less stable if carbons are replaced by silicons and that the three-dimensional bipyramidal forms become less favorable as soon as silicons are exchanged by carbons in the parent Si\(_6\) structure. The effects can be rationalized in qualitative terms based on differences in silicon and carbon bonding.},
  subject      = {Organische Chemie},
  language  = {en}
}
@article{ChristlHerzog1986,
  author    = {Christl, Manfred and Herzog, C.},
  title     = {\(^{13}\)C-NMR-Spektroskopie: Besondere Hochfeldeffekte in Bicyclo[4.1.1]- und Tricyclo[5.1.0.0\(^{2,8}\)]octan-Systemen (1,3-Cycloheptadien-Effekt) und besondere Tieffeldeffekte in Dihalogenbicyclo[2.1.1]hex-2-enen (Cyclopenten-Effekt)},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-58334},
  year      = {1986},
  abstract  = {No abstract available},
  subject      = {Organische Chemie},
  language  = {de}
}
@article{ChristlWarrenHawkinsetal.1973,
  author    = {Christl, Manfred and Warren, J. D. and Hawkins, B. L. and Roberts, J. D.},
  title     = {\(^{13}\)C and \(^{15}\)N Nuclear Magnetic Resonance Spectroscopy of Nitrile Oxides and Related Reaction Products : Unexpected \(^{13}\)C and \(^{15}\)N Nuclear Magnetic Resonance Parameters of 2,4,6-Trimethylbenzonitrile Oxide},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-57894},
  year      = {1973},
  abstract  = {No abstract available},
  subject      = {Organische Chemie},
  language  = {en}
}
@article{Christl1975,
  author    = {Christl, Manfred},
  title     = {\(^{13}\)-NMR-Spektren von Bicyclo[n.1.0]kohlenwasserstoffen},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-57977},
  year      = {1975},
  abstract  = {No abstract available},
  subject      = {Organische Chemie},
  language  = {de}
}
@article{LeiningerKemmerBecketal.1982,
  author    = {Leininger, H. and Kemmer, P. and Beck, K. and Christl, M.},
  title     = {7-Thiatetracyclo[4.1.0.0\(^{2,4}\).0\(^{3,5}\)]heptan (Benzvalensulfid) - Synthese und Reaktionen},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-58113},
  year      = {1982},
  abstract  = {No abstract available},
  subject      = {Organische Chemie},
  language  = {de}
}
@article{ChristlBrunnRothetal.1989,
  author    = {Christl, Manfred and Brunn, E. and Roth, W. R. and Lennartz, H.-W.},
  title     = {7-Methyl- and 7-Phenylcyclohepta-1,3,5-trienes from Benzvalene Via 3,3a,4,5,6,6a-Hexahydro-4,5,6-methenocyclopentapyrazoles and Tetracyclo[4.1.0.0\(^{2,4}\).0\(^{3,5}\)]heptanes},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-58471},
  year      = {1989},
  abstract  = {No abstract available},
  subject      = {Organische Chemie},
  language  = {en}
}
@article{ChristlSchreck1987,
  author    = {Christl, Manfred and Schreck, M.},
  title     = {7-Arylbicyclo[4.2.0]oct-1-ene - Synthese durch [2+2]-Cycloadditionen von 1,2-Cyclohexadien sowie 1-Methyl-1,2-cyclohexadien und thermische {\"A}quilibrierung der exo/endo-Isomeren},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-58352},
  year      = {1987},
  abstract  = {Das exo/endo--lsomerenverh{\"a}ltnis Ja: Jb bei der bekannten [2 + 2]-Cycloaddition von Styrol an 1,2-Cyclohexadien (2) wurde als tempcraturabhingiaaefunden. Der Einsatz von (Z)-Dcutcriostyrollicfene den Beweis der Zweistufiakeit dieser Reaktion, und das Diradikal 4 wird als wahrscheinlichste Zwischenstufe anaesehen. Erhitzen von Jb auf 140-170°C f{\"u}hrte zur Binstellung des thermodynamischen Gleichgewichts mit Ja (Ja:3b = 93:7), wobei wieder das Diradikal4 als Zwischenstufe fungieren d{\"u}rfte. Mit Hilfe kinetischer Messungen ermittelte man die Aktivierungsparameter f{\"u}r das System Ja~ 3b. - Aus 2 und den Abfangreagenzien p-Methoxystyrol, 1,1-Diphenylethylen sowie 1-Phenylpropen gingen mit bescheidenen Ausbeuten die Titelverbindungen 6a, b, 7 bzw. 8 hervor. Analoa zu 2 wurde sein l-Methylderivat 13 aus 6,6-Dibrom-1-methylbicyclo[3.1.0]hexan (9) durch Methyllithium freigesetzt. In Gegenwart von Styrol entstand neben den Abfanaprodukten 14a, b auch das Dimere 12 von lJ. - Die 1H-NMR-Spektren der Titelverbindungen belegen eine starre Halbsesselkonformation des Cyclohexentcils mit {\"a}quatorial anellienem Cyclobutanring.},
  subject      = {Organische Chemie},
  language  = {de}
}
@article{ChristlNusserHerzog1988,
  author    = {Christl, Manfred and Nusser, R. and Herzog, C.},
  title     = {4-Bromoctavalen und zwei (Brommethylen)homobenzvalene anstelle eines erwarteten Bromoctabisvalens},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-58409},
  year      = {1988},
  abstract  = {No abstract available.},
  subject      = {Organische Chemie},
  language  = {de}
}
@article{ChristlHerzog1987,
  author    = {Christl, Manfred and Herzog, C.},
  title     = {3-(Phenylsulfonyl)tricyclo[4.1.0.0\(^{2,7}\)]hept-4-en-3-yllithium},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-58340},
  year      = {1987},
  abstract  = {Phenyl(tricyclo[4.1.0.0\^(^{2,7}\)] hept-4-en-3-yl)sulfone 8 has been prepared in two steps from 4,S-dlbromohomobenzvalene (6) and deprotonated to give the title compound 9. The carbon-13 NMR spectrum of 9 reveals a considerable interaction between the allyl anion moiety and the bicyclobutane system.},
  subject      = {Organische Chemie},
  language  = {de}
}