Prof. Dr. Martin Suhm

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unigoe
 

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  • 2007 | Journal Article
    ​ ​High Resolution FTIR and Diode Laser Supersonic Jet Spectroscopy of the N = 2 HF Stretching Polyad in (HF) 2 and (HFDF): Hydrogen Bond Switching and Predissociation Dynamics​
    He, Y.; Müller, H. B.; Quack, M. & Suhm, M. A. ​ (2007) 
    Zeitschrift für physikalische Chemie, 221(11-12) pp. 1581​-1645​.​ DOI: https://doi.org/10.1524/zpch.2007.221.11-12.1581 
    ​Details  DOI 
  • 1999 | Journal Article
    ​ ​A new six-dimensional analytical potential up to chemically significant energies for the electronic ground state of hydrogen peroxide​
    Kuhn, B.; Rizzo, T. R.; Luckhaus, D.; Quack, M. & Suhm, M. A. ​ (1999) 
    The Journal of Chemical Physics, 111(6) pp. 2565​-2587​.​ DOI: https://doi.org/10.1063/1.479534 
    ​Details  DOI 
  • 1998 | Journal Article
    ​ ​HF dimer: Empirically refined analytical potential energy and dipole hypersurfaces from ab initio calculations​
    Klopper, W.; Quack, M. & Suhm, M. A. ​ (1998) 
    The Journal of Chemical Physics, 108(24) pp. 10096​-10115​.​ DOI: https://doi.org/10.1063/1.476470 
    ​Details  DOI 
  • 1998 | Book Chapter
    ​ ​Spectroscopy and quantum dynamics of hydrogen fluoride clusters​
    Quack, M.& Suhm, M. A. ​ (1998)
    In: Molecular Clusters pp. 205​-248. ​Elsevier. DOI: https://doi.org/10.1016/S1063-5467(98)80009-0 
    ​Details  DOI 
  • 1998 | Journal Article
    ​ ​Explicitly correlated coupled cluster calculations of the dissociation energies and barriers to concerted hydrogen exchange of (HF)n oligomers (n=2,3,4,5)​
    Klopper, W.; Quack, M. & Suhm, M. A. ​ (1998) 
    Molecular Physics, 94(1) pp. 105​-119​.​ DOI: https://doi.org/10.1080/002689798168394 
    ​Details  DOI 
  • 1997 | Book Chapter
    ​ ​Potential Energy Hypersurfaces for Hydrogen Bonded Clusters (HF) n​
    Quack, M.& Suhm, M. A. ​ (1997)
    In:​Calais, Jean-Louis; Kryachko, Eugene​ (Eds.), Conceptual Perspectives in Quantum Chemistry pp. 415​-463. ​Springer Dordrecht. DOI: https://doi.org/10.1007/978-94-011-5572-4_12 
    ​Details  DOI 
  • 1997 | Journal Article
    ​ ​A critical analysis of electronic density functionals for structural, energetic, dynamic, and magnetic properties of hydrogen fluoride clusters​
    Maerker, C.; Schleyer, P. V. R.; Liedl, K. R.; Ha, T.-K.; Quack, M. & Suhm, M. A. ​ (1997) 
    Journal of Computational Chemistry, 18(14) pp. 1695​-1719​.​ DOI: https://doi.org/10.1002/(SICI)1096-987X(19971115)18:14<1695::AID-JCC1>3.0.CO;2-F 
    ​Details  DOI 
  • 1997 | Journal Article
    ​ ​FTIR spectroscopy of hydrogen fluoride clusters in synchronously pulsed supersonic jets. Isotopic isolation, substitution and 3-d condensation​
    Quack, M.; Schmitt, U. & Suhm, M. A. ​ (1997) 
    Chemical Physics Letters, 269(1-2) pp. 29​-38​.​ DOI: https://doi.org/10.1016/S0009-2614(97)00203-0 
    ​Details  DOI 
  • 1996 | Journal Article
    ​ ​The permanentectric dipole moment of CH2D2: FIR el spectroscopy​
    Signorell, R.; Marquardt, R.; Quack, M. & Suhm, M. A. ​ (1996) 
    Molecular Physics, 89(1) pp. 297​-313​.​ DOI: https://doi.org/10.1080/002689796174146 
    ​Details  DOI 
  • 1996 | Journal Article
    ​ ​On hydrogen-bonded complexes: the case of (HF)2​
    Quack, M. & Suhm, M. A. ​ (1996) 
    Theoretica Chimica Acta, 93(2) pp. 61​-65​.​ DOI: https://doi.org/10.1007/BF01113547 
    ​Details  DOI 
  • 1996 | Journal Article
    ​ ​A new ab initio based six-dimensional semi-empirical pair interaction potential for HF​
    Klopper, W.; Quack, M. & Suhm, M. A. ​ (1996) 
    Chemical Physics Letters, 261(1-2) pp. 35​-44​.​ DOI: https://doi.org/10.1016/0009-2614(96)00901-3 
    ​Details  DOI 
  • 1995 | Journal Article
    ​ ​On FTIR Spectroscopy in Asynchronously Pulsed Supersonic Free Jet Expansions and on the Interpretation of Stretching Spectra of HF Clusters​
    Luckhaus, D.; Quack, M.; Schmitt, U. & Suhm, M. A. ​ (1995) 
    Berichte der Bunsengesellschaft für physikalische Chemie, 99(3) pp. 457​-468​.​ DOI: https://doi.org/10.1002/bbpc.19950990333 
    ​Details  DOI 
  • 1995 | Journal Article
    ​ ​Dipole Moment Function of Methane and Analytical Anharmonic, 9-dimensional Potential Surface: Theory and Experiment for the Permanent Electric Dipole Moment of CH 2 D 2 Using Quantum Monte Carlo Calculations and FIR Spectroscopy​
    Hollenstein, H.; Marquardt, R. R.; Quack, M. & Suhm, M. A. ​ (1995) 
    Berichte der Bunsengesellschaft für physikalische Chemie, 99(3) pp. 275​-281​.​ DOI: https://doi.org/10.1002/bbpc.19950990307 
    ​Details  DOI 
  • 1995 | Journal Article | Research Paper
    ​ ​Accurate quantum Monte Carlo calculations of the tunneling splitting in (HF)2 on a six-dimensional potential hypersurface​
    Quack, M. & Suhm, M. A. ​ (1995) 
    Chemical Physics Letters, 234(1-3) pp. 71​-76​.​ DOI: https://doi.org/10.1016/0009-2614(94)01405-K 
    ​Details  DOI 
  • 1994 | Journal Article | Research Paper
    ​ ​Dipole moment function and equilibrium structure of methane in an analytical, anharmonic nine‐dimensional potential surface related to experimental rotational constants and transition moments by quantum Monte Carlo calculations​
    Hollenstein, H.; Marquardt, R. R.; Quack, M. & Suhm, M. A. ​ (1994) 
    The Journal of Chemical Physics, 101(5) pp. 3588​-3602​.​ DOI: https://doi.org/10.1063/1.467544 
    ​Details  DOI 
  • 1993 | Journal Article
    ​ ​Evidence for the (HF) 5 complex in the HF stretching FTIR absorption spectra of pulsed and continuous supersonic jet expansions of hydrogen fluoride​
    Quack, M.; Schmitt, U. & Suhm, M. A. ​ (1993) 
    Chemical Physics Letters, 208(5-6) pp. 446​-452​.​ DOI: https://doi.org/10.1016/0009-2614(93)87171-X 
    ​Details  DOI 
  • 1993 | Journal Article
    ​ ​Vibrational dynamics of (HF)n aggregates from an ab initio based analytical (1+2+3)-body potential​
    Quack, M.; Stohner, J. & Suhm, M. A. ​ (1993) 
    Journal of Molecular Structure, 294 pp. 33​-36​.​ DOI: https://doi.org/10.1016/0022-2860(93)80308-I 
    ​Details  DOI 
  • 1991 | Journal Article
    ​ ​Potential energy surfaces, quasiadiabatic channels, rovibrational spectra, and intramolecular dynamics of (HF) 2 and its isotopomers from quantum Monte Carlo calculations​
    Quack, M. & Suhm, M. A. ​ (1991) 
    The Journal of Chemical Physics, 95(1) pp. 28​-59​.​ DOI: https://doi.org/10.1063/1.461486 
    ​Details  DOI 
  • 1991 | Journal Article
    ​ ​Quasiadiabatic channels and effective transition-state barriers for the disrotatory in-plane hydrogen-bond exchange motion in (HF)2​
    Quack, M. & Suhm, M. A. ​ (1991) 
    Chemical Physics Letters, 183(3-4) pp. 187​-194​.​ DOI: https://doi.org/10.1016/0009-2614(91)80048-3 
    ​Details  DOI 
  • 1990 | Journal Article | Research Paper
    ​ ​Observation and assignment of the hydrogen-bond exchange disrotatory inplane bending vibration-NU-5 IN (HF)2​
    Quack, M. & Suhm, M. A. ​ (1990) 
    Chemical Physics Letters, 171(5-6) pp. 517​-524​.​ DOI: https://doi.org/10.1016/0009-2614(90)85256-C 
    ​Details  DOI 
  • 1990 | Journal Article
    ​ ​Potential energy surface and energy levels of (HF) 2 and its D isotopomers​
    Quack, M. & Suhm, M. A. ​ (1990) 
    Molecular Physics, 69(4) pp. 791​-801​.​ DOI: https://doi.org/10.1080/00268979000100601 
    ​Details  DOI 
  • 1989 | Journal Article
    ​ ​Infrared spectrum and dynamics of the hydrogen bonded dimer (HF)2​
    von Puttkamer, K.; Quack, M. & Suhm, M. A. ​ (1989) 
    Infrared Physics, 29(2-4) pp. 535​-539​.​ DOI: https://doi.org/10.1016/0020-0891(89)90096-1 
    ​Details  DOI 
  • 1988 | Journal Article
    ​ ​Observation and assignment of tunnelling-rotational transitions in the far infrared spectrum of (HF) 2​
    Von Puttkamer, K.; Quack, M. & Suhm, M. A. ​ (1988) 
    Molecular Physics, 65(5) pp. 1025​-1045​.​ DOI: https://doi.org/10.1080/00268978800101581 
    ​Details  DOI 

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