@article{ReuterEngelsPeyerimhoff1992,
  author    = {Reuter, W. and Engels, Bernd and Peyerimhoff, S.D.},
  title     = {The Reaction of Singlet and Triplet Methylen with Ethene - A Multi-Reference CI Study},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-58923},
  year      = {1992},
  abstract  = {Large-scale multireference configuration interaction (MRD-CI) calculations in a flexible atomic orbital (AO) basis are employed to study the reaction of C\(_2\)H\(_4\) with CH\(_2\) in its firSt triplet and singlet state. The minimum energy path (MEP) of both reactions is calculated, and different mechanisms are discussed. To examine the possible participation of the singlet state in the overall reaction starting from the triplet channel and terminating in the singlet-state c-C\(_3\)H\(_6\), various cuts through both hypersurfaces are calculated. lt is found that favorable interconversion from the trip1et to the singlet surface can only occur at !arge separations of the two fragments of CH2 and C\(_2\)H\(_4\). Experimental data considering the vibrational motion of CH\(_2\) in connection with the relative position of both surfaces are used to obtain an estimate for the overall barrier of the reaction. The height of the barrier is about 6 kcal/mol, while the barrier of the pure triplet reaction is calculated to be 7-9 kcal/mol.},
  subject      = {Organische Chemie},
  language  = {en}
}
@article{EngelsPericReuteretal.1992,
  author    = {Engels, Bernd and Peric, M. and Reuter, W. and Peyerimhoff, S.D. and Grein, F.},
  title     = {Study of the hyperfine coupling constants \(^{14}\)N and \(^1\)H) of the NH\(_2\) molecule in the X\(^2\)B\(_1\) ground state and the A\(^2\)A\(_1\) excited state},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-58937},
  year      = {1992},
  abstract  = {The hyperfine coupling constants (hfcc) A\(_{iso}\) and A\(_{ij}\) are calculated for the atoms of NH\(_2\) in its, two lowest-lying electronk states at various molecular geometries by means of the ab initio multireference configuration interaction .method. The vibronically averaged values of the hfccs for the K = 0 and 1 levels in \(^{14}\)N \(^1\)H\(_2\) in the energy range up to 20 000 cm\(^{-1}\) are computed. Polarization elfects which determine A\(_{iso}\) as well as a simple model to describe the dipolar hfccs are discussed. All resrilts are in excellent agreement with experimental data.},
  subject      = {Organische Chemie},
  language  = {en}
}
@article{KilianOhlReuteretal.2012,
  author    = {Kilian, W. and Ohl, T. and Reuter, J. and Speckner, C.},
  title     = {QCD in the color-flow representation},
  series = {Journal of High Energy Physics},
  volume    = {10},
  journal   = {Journal of High Energy Physics},
  number    = {022},
  doi       = {10.1007/JHEP10(2012)022},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-129583},
  year      = {2012},
  abstract  = {For many practical purposes, it is convenient to formulate unbroken non-abelian gauge theories like QCD in a color-flow basis. We present a new derivation of SU(N) interactions in the color-flow basis by extending the gauge group to U(N) × U(1)′ in such a way that the two U(1) factors cancel each other. We use the quantum action principles to show the equivalence to the usual basis to all orders in perturbation theory. We extend the known Feynman rules to exotic color representations (e.g. sextets) and discuss practical applications as they occur in automatic computation programs.},
  language  = {en}
}
@article{BochSpiessHeinzetal.2019,
  author    = {Boch, Tobias and Spiess, Birgit and Heinz, Werner and Cornely, Oliver A. and Schwerdtfeger, Rainer and Hahn, Joachim and Krause, Stefan W. and Duerken, Matthias and Bertz, Hartmut and Reuter, Stefan and Kiehl, Michael and Claus, Bernd and Deckert, Peter Markus and Hofmann, Wolf-Karsten and Buchheidt, Dieter and Reinwald, Mark},
  title     = {Aspergillus specific nested PCR from the site of infection is superior to testing concurrent blood samples in immunocompromised patients with suspected invasive aspergillosis},
  series = {Mycoses},
  volume    = {62},
  journal   = {Mycoses},
  number    = {11},
  doi       = {10.1111/myc.12983},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-214065},
  pages     = {1035 -- 1042},
  year      = {2019},
  abstract  = {Invasive aspergillosis (IA) is a severe complication in immunocompromised patients. Early diagnosis is crucial to decrease its high mortality, yet the diagnostic gold standard (histopathology and culture) is time-consuming and cannot offer early confirmation of IA. Detection of IA by polymerase chain reaction (PCR) shows promising potential. Various studies have analysed its diagnostic performance in different clinical settings, especially addressing optimal specimen selection. However, direct comparison of different types of specimens in individual patients though essential, is rarely reported. We systematically assessed the diagnostic performance of an Aspergillus-specific nested PCR by investigating specimens from the site of infection and comparing it with concurrent blood samples in individual patients (pts) with IA. In a retrospective multicenter analysis PCR was performed on clinical specimens (n = 138) of immunocompromised high-risk pts (n = 133) from the site of infection together with concurrent blood samples. 38 pts were classified as proven/probable, 67 as possible and 28 as no IA according to 2008 European Organization for Research and Treatment of Cancer/Mycoses Study Group consensus definitions. A considerably superior performance of PCR from the site of infection was observed particularly in pts during antifungal prophylaxis (AFP)/antifungal therapy (AFT). Besides a specificity of 85\%, sensitivity varied markedly in BAL (64\%), CSF (100\%), tissue samples (67\%) as opposed to concurrent blood samples (8\%). Our results further emphasise the need for investigating clinical samples from the site of infection in case of suspected IA to further establish or rule out the diagnosis.},
  language  = {en}
}