Prof. Dr. Martin Suhm

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  • 2007 | Journal Article
    ​ ​He, Yabai, Holger B. Müller, Martin Quack, and Martin A. Suhm. "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​." ​Zeitschrift für physikalische Chemie ​221, no. 11-12 (2007): ​1581​-1645​. ​https://doi.org/10.1524/zpch.2007.221.11-12.1581.
    ​Details  DOI 
  • 1999 | Journal Article
    ​ ​Kuhn, Bernd, Thomas R. Rizzo, David Luckhaus, Martin Quack, and Martin A. Suhm. "A new six-dimensional analytical potential up to chemically significant energies for the electronic ground state of hydrogen peroxide​." ​The Journal of Chemical Physics ​111, no. 6 (1999): ​2565​-2587​. ​https://doi.org/10.1063/1.479534.
    ​Details  DOI 
  • 1998 | Journal Article
    ​ ​Klopper, Wim, Martin Quack, and Martin A. Suhm. "HF dimer: Empirically refined analytical potential energy and dipole hypersurfaces from ab initio calculations​." ​The Journal of Chemical Physics ​108, no. 24 (1998): ​10096​-10115​. ​https://doi.org/10.1063/1.476470.
    ​Details  DOI 
  • 1998 | Book Chapter
    ​ ​Quack, Martin, and Martin A. Suhm. "Spectroscopy and quantum dynamics of hydrogen fluoride clusters​." ​In Molecular Clusters, 205​-248​. ​​Elsevier, ​1998. https://doi.org/10.1016/S1063-5467(98)80009-0.
    ​Details  DOI 
  • 1998 | Journal Article
    ​ ​Klopper, Wim, Martin Quack, and Martin A. Suhm. "Explicitly correlated coupled cluster calculations of the dissociation energies and barriers to concerted hydrogen exchange of (HF)n oligomers (n=2,3,4,5)​." ​Molecular Physics ​94, no. 1 (1998): ​105​-119​. ​https://doi.org/10.1080/002689798168394.
    ​Details  DOI 
  • 1997 | Book Chapter
    ​ ​Quack, Martin, and Martin A. Suhm. "Potential Energy Hypersurfaces for Hydrogen Bonded Clusters (HF) n​." ​In Conceptual Perspectives in Quantum Chemistry, edited by Jean-Louis Calais, Eugene Kryachko​, 415​-463​. ​​Springer Dordrecht, ​1997. https://doi.org/10.1007/978-94-011-5572-4_12.
    ​Details  DOI 
  • 1997 | Journal Article
    ​ ​Maerker, Christoph, Paul Von R. Schleyer, Klaus R. Liedl, T.-K. Ha, Martin Quack, and Martin A. Suhm. "A critical analysis of electronic density functionals for structural, energetic, dynamic, and magnetic properties of hydrogen fluoride clusters​." ​Journal of Computational Chemistry ​18, no. 14 (1997): ​1695​-1719​. ​https://doi.org/10.1002/(SICI)1096-987X(19971115)18:14<1695::AID-JCC1>3.0.CO;2-F.
    ​Details  DOI 
  • 1997 | Journal Article
    ​ ​Quack, Martin, Ulrich Schmitt, and Martin A. Suhm. "FTIR spectroscopy of hydrogen fluoride clusters in synchronously pulsed supersonic jets. Isotopic isolation, substitution and 3-d condensation​." ​Chemical Physics Letters ​269, no. 1-2 (1997): ​29​-38​. ​https://doi.org/10.1016/S0009-2614(97)00203-0.
    ​Details  DOI 
  • 1996 | Journal Article
    ​ ​Signorell, Ruth, Roberto Marquardt, Martin Quack, and Martin A. Suhm. "The permanentectric dipole moment of CH2D2: FIR el spectroscopy​." ​Molecular Physics ​89, no. 1 (1996): ​297​-313​. ​https://doi.org/10.1080/002689796174146.
    ​Details  DOI 
  • 1996 | Journal Article
    ​ ​Quack, Martin, and Martin A. Suhm. "On hydrogen-bonded complexes: the case of (HF)2​." ​Theoretica Chimica Acta ​93, no. 2 (1996): ​61​-65​. ​https://doi.org/10.1007/BF01113547.
    ​Details  DOI 
  • 1996 | Journal Article
    ​ ​Klopper, Wim, Martin Quack, and Martin A. Suhm. "A new ab initio based six-dimensional semi-empirical pair interaction potential for HF​." ​Chemical Physics Letters ​261, no. 1-2 (1996): ​35​-44​. ​https://doi.org/10.1016/0009-2614(96)00901-3.
    ​Details  DOI 
  • 1995 | Journal Article
    ​ ​Luckhaus, David, Martin Quack, Ulrich Schmitt, and Martin A. Suhm. "On FTIR Spectroscopy in Asynchronously Pulsed Supersonic Free Jet Expansions and on the Interpretation of Stretching Spectra of HF Clusters​." ​Berichte der Bunsengesellschaft für physikalische Chemie ​99, no. 3 (1995): ​457​-468​. ​https://doi.org/10.1002/bbpc.19950990333.
    ​Details  DOI 
  • 1995 | Journal Article
    ​ ​Hollenstein, Hans, Roberto R. Marquardt, Martin Quack, and Martin A. Suhm. "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​." ​Berichte der Bunsengesellschaft für physikalische Chemie ​99, no. 3 (1995): ​275​-281​. ​https://doi.org/10.1002/bbpc.19950990307.
    ​Details  DOI 
  • 1995 | Journal Article | Research Paper
    ​ ​Quack, Martin, and Martin A. Suhm. "Accurate quantum Monte Carlo calculations of the tunneling splitting in (HF)2 on a six-dimensional potential hypersurface​." ​Chemical Physics Letters ​234, no. 1-3 (1995): ​71​-76​. ​https://doi.org/10.1016/0009-2614(94)01405-K.
    ​Details  DOI 
  • 1994 | Journal Article | Research Paper
    ​ ​Hollenstein, Hans, Roberto R. Marquardt, Martin Quack, and Martin A. Suhm. "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​." ​The Journal of Chemical Physics ​101, no. 5 (1994): ​3588​-3602​. ​https://doi.org/10.1063/1.467544.
    ​Details  DOI 
  • 1993 | Journal Article
    ​ ​Quack, Martin, Ulrich Schmitt, and Martin A. Suhm. "Evidence for the (HF) 5 complex in the HF stretching FTIR absorption spectra of pulsed and continuous supersonic jet expansions of hydrogen fluoride​." ​Chemical Physics Letters ​208, no. 5-6 (1993): ​446​-452​. ​https://doi.org/10.1016/0009-2614(93)87171-X.
    ​Details  DOI 
  • 1993 | Journal Article
    ​ ​Quack, Martin, Jürgen Stohner, and Martin A. Suhm. "Vibrational dynamics of (HF)n aggregates from an ab initio based analytical (1+2+3)-body potential​." ​Journal of Molecular Structure ​294 (1993): ​33​-36​. ​https://doi.org/10.1016/0022-2860(93)80308-I.
    ​Details  DOI 
  • 1991 | Journal Article
    ​ ​Quack, Martin, and Martin A. Suhm. "Potential energy surfaces, quasiadiabatic channels, rovibrational spectra, and intramolecular dynamics of (HF) 2 and its isotopomers from quantum Monte Carlo calculations​." ​The Journal of Chemical Physics ​95, no. 1 (1991): ​28​-59​. ​https://doi.org/10.1063/1.461486.
    ​Details  DOI 
  • 1991 | Journal Article
    ​ ​Quack, Martin, and Martin A. Suhm. "Quasiadiabatic channels and effective transition-state barriers for the disrotatory in-plane hydrogen-bond exchange motion in (HF)2​." ​Chemical Physics Letters ​183, no. 3-4 (1991): ​187​-194​. ​https://doi.org/10.1016/0009-2614(91)80048-3.
    ​Details  DOI 
  • 1990 | Journal Article | Research Paper
    ​ ​Quack, Martin, and Martin A. Suhm. "Observation and assignment of the hydrogen-bond exchange disrotatory inplane bending vibration-NU-5 IN (HF)2​." ​Chemical Physics Letters ​171, no. 5-6 (1990): ​517​-524​. ​https://doi.org/10.1016/0009-2614(90)85256-C.
    ​Details  DOI 
  • 1990 | Journal Article
    ​ ​Quack, Martin, and Martin A. Suhm. "Potential energy surface and energy levels of (HF) 2 and its D isotopomers​." ​Molecular Physics ​69, no. 4 (1990): ​791​-801​. ​https://doi.org/10.1080/00268979000100601.
    ​Details  DOI 
  • 1989 | Journal Article
    ​ ​von Puttkamer, Katharina, Martin Quack, and Martin A. Suhm. "Infrared spectrum and dynamics of the hydrogen bonded dimer (HF)2​." ​Infrared Physics ​29, no. 2-4 (1989): ​535​-539​. ​https://doi.org/10.1016/0020-0891(89)90096-1.
    ​Details  DOI 
  • 1988 | Journal Article
    ​ ​Von Puttkamer, Katharina, Martin Quack, and Martin A. Suhm. "Observation and assignment of tunnelling-rotational transitions in the far infrared spectrum of (HF) 2​." ​Molecular Physics ​65, no. 5 (1988): ​1025​-1045​. ​https://doi.org/10.1080/00268978800101581.
    ​Details  DOI 

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