@article{PericEngelsPeyerimhoff1991,
  author    = {Peric, M. and Engels, Bernd and Peyerimhoff, S.D.},
  title     = {Ab initio investigation of the vibronic structure of the C\(_2\)H spectrum Computation of the vibronically-averaged values for the Hyperfine Coupling Constants},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-58915},
  year      = {1991},
  abstract  = {The vibronically averaged values for tbe hyperfine coupling constants in the X\(^2 \sum\)-A\(^2 \Pi\) system of the ethynyl radical are computed by means of tbe ab initio metbod calculations. The results point at tbe importance of taking into account the coupling of a1l tbree electronic states in question ( I\(^2\)A', 2\(^2\)A', and 1\(^2\)A") for a reliable explanation of the available experimental findings. The mean values of the hfcc's for K = 0 and 1 levels in \(^{13}\)C\(_2\)H and \(^{13}\)C\(_2\)D in the energy range up to 6000 cm\(^{-1}\) are predicted.},
  subject      = {Organische Chemie},
  language  = {en}
}
@article{PlessSuterEngels1994,
  author    = {Pleß, V. and Suter, H. U. and Engels, Bernd},
  title     = {Ab initio study of the energy difference between the benzene and the cumulene form of the C\(_6\) molecule},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-59059},
  year      = {1994},
  abstract  = {The energy difference between the three lowest-lying isomers of C\(_6\) the linear \(^3 \sum ^-\) state and the two ring forms,the benzene structure (\(^1\)A\(_{18}\)) possessing D\(_{6h}\) symmetry and a distorted cyclic form ( \(^1\)A'\(_1\), D\(_{3h}\) symmetry) have been calculated using various ab initio methods. Variational methods such as multireference configuration interaction (MR-CI) and complete active space second order perturbatiOn treatment (CASPT2) have been applied, as weil as perturbational treatments and coupled cluster calculations (CCD). The correlation of all valence shell electrons is found to be important for a balanced description of the isomers of C\(_6\) . Methods which do not account for higher-order effects appropriately proved to be unsuitable for calculating the energy difference correctly. The results from multireference configuration interaction methods show that the isomers are close in energy with the cyclic forms somewhat lower than the linear form. The ring form possessing D\(_{3h}\) symmetry (\(^1\)A'\(_1\)} is found tobe the lowest-lying structure.},
  subject      = {Organische Chemie},
  language  = {en}
}
@article{BastChristlHuisgenetal.1972,
  author    = {Bast, K. and Christl, Manfred and Huisgen, R. and Mack, W.},
  title     = {Additionen der Nitriloxide an CN-Mehrfachbindungen},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-57879},
  year      = {1972},
  abstract  = {No abstract available},
  subject      = {Organische Chemie},
  language  = {de}
}
@article{BastChristlHuisgenetal.1973,
  author    = {Bast, K. and Christl, Manfred and Huisgen, R. and Mack, W. and Sustmann, R.},
  title     = {Additionen des Benzonitriloxids an olefinische und acetylenische Dipolarophile},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-57905},
  year      = {1973},
  abstract  = {No abstract available},
  subject      = {Organische Chemie},
  language  = {de}
}
@article{ChristlMattauchIrngartingeretal.1986,
  author    = {Christl, Manfred and Mattauch, B. and Irngartinger, H. and Goldmann, A.},
  title     = {Additionen von Benzvalen an Nitriloxide. Eine Synthese f{\"u}r Benzvalen-3-carbonitril},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-58269},
  year      = {1986},
  abstract  = {No abstract available},
  subject      = {Organische Chemie},
  language  = {de}
}
@article{BuendgenEngelsPeyerimhoff1991,
  author    = {B{\"u}ndgen, P. and Engels, Bernd and Peyerimhoff, S.D.},
  title     = {An MRD-CI study of low-lying electronic states in CaF},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-58880},
  year      = {1991},
  abstract  = {Dipole moments and various spectroscopic constants of some low-lying electronic states of the CaF molecule have been calculated using the multireference single· and double-excitation configuration-interaction (MRD-CI) method. The electronic structure of the highly ionic molecule in various excited states can be explained in tenns of different polarisations of the mainly Cacentered valence electron in the field of the F\(^-\) anion. Plots of natural orbitals occupied by the valence electron in the different states give a qualitative picture of the charge distribution and provide a visualisation of the different polarisations of the valence electron in the various states. Comparisons with the electrostatic polarisation model ofT{\"o}rring, Ernstand K{\"a}ndler (TEK model) are made. The unknown A' \(^2 \Delta\) state is predicted to lie about 21200 cm\(^{-1}\) above the ground state.},
  subject      = {Organische Chemie},
  language  = {en}
}
@article{GittinsHarrisFieldetal.1993,
  author    = {Gittins, C. M. and Harris, N. A. and Field, R. W. and Verges, J. and Ernst, W. E. and B{\"u}ndgen, P. and Engels, Bernd},
  title     = {Analysis and Depertubation of the C\(^2\)Π and D\(^2\)Σ\(^+\) states of CaF},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-58980},
  year      = {1993},
  abstract  = {No abstract available},
  subject      = {Organische Chemie},
  language  = {en}
}
@article{HerbertChristl1979,
  author    = {Herbert, R. and Christl, Manfred},
  title     = {Bicyclo[2.1.1]hexane aus Tricyclo[3.1.0.0\(^{2,6}\)]hexanen},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-58042},
  year      = {1979},
  abstract  = {No abstract available},
  subject      = {Organische Chemie},
  language  = {de}
}
@article{ChristlHerzogNusser1986,
  author    = {Christl, Manfred and Herzog, C. and Nusser, R.},
  title     = {Bicyclo[4.1.1]octa-2,4-dien, -oct-2-en, -oct-3-en und -octan aus Norpinen},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-58326},
  year      = {1986},
  abstract  = {No abstract available},
  subject      = {Organische Chemie},
  language  = {de}
}
@article{HomannQamarSerimetal.2010,
  author    = {Homann, Arne and Qamar, Riaz-ul and Serim, Sevnur and Dersch, Petra and Seibel, Juergen},
  title     = {Bioorthogonal metabolic glycoengineering of human larynx carcinoma (HEp-2) cells targeting sialic acid},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-67806},
  year      = {2010},
  abstract  = {Sialic acids are located at the termini of mammalian cell-surface glycostructures, which participate in essential interaction processes including adhesion of pathogens prior to infection and immunogenicity. Here we present the synthesis and bioorthogonal metabolic incorporation of the sialic acid analogue N-(1-oxohex-5-ynyl)neuraminic acid (Neu5Hex) into the cell-surface glycocalyx of a human larynx carcinoma cell line (HEp-2) and its fluorescence labelling by click chemistry.},
  subject      = {Organische Chemie},
  language  = {en}
}