The Journal of Chemical Physics

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American Institute of Physics
 
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  • 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 
  • 1996 | Journal Article
    ​ ​Zero‐field‐splitting and π‐electron spin densities in the lowest excited triplet state of oligothiophenes​
    Bennati, M. ; Németh, K.; Surján, P. R. & Mehring, M.​ (1996) 
    The Journal of Chemical Physics, 105(11) pp. 4441​-4447​.​ DOI: https://doi.org/10.1063/1.472296 
    ​Details  DOI 
  • 1996 | Journal Article
    ​ ​Breaking symmetry with hydrogen bonds: Vibrational predissociation and isomerization dynamics in HF–DF and DF–HF isotopomers​
    Farrell, J. T.; Suhm, M. A.   & Nesbitt, D. J.​ (1996) 
    The Journal of Chemical Physics, 104(23) pp. 9313​-9331​.​ DOI: https://doi.org/10.1063/1.471677 
    ​Details  DOI 
  • 1995 | Journal Article
    ​ ​Electron paramagnetic resonance lineshape analysis of the photoexcited triplet state of C 60 in frozen solution. Exchange narrowing and dynamic Jahn–Teller effect​
    Bennati, M. ; Grupp, A. & Mehring, M.​ (1995) 
    The Journal of Chemical Physics, 102(24) pp. 9457​-9464​.​ DOI: https://doi.org/10.1063/1.468814 
    ​Details  DOI 
  • 1994 | Journal Article
    ​ ​Molecular dynamics of conformational substates for a simplified protein model​
    Grubmüller, H.   & Tavan, P.​ (1994) 
    The Journal of Chemical Physics, 101(6) pp. 5047​-5057​.​ DOI: https://doi.org/10.1063/1.467427 
    ​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
    ​ ​High‐resolution infrared spectroscopy of DF trimer: A cyclic ground state structure and DF stretch induced intramolecular vibrational coupling​
    Suhm, M. A. ; Farrell, J. T.; Ashworth, S. H. & Nesbitt, D. J.​ (1993) 
    The Journal of Chemical Physics, 98(7) pp. 5985​-5989​.​ DOI: https://doi.org/10.1063/1.464860 
    ​Details  DOI 
  • 1992 | Journal Article | Research Paper
    ​ ​High resolution 1.3 μm overtone spectroscopy of HF dimer in a slit jet: K a =0←0 and K a =1←0 subbands of v acc =2←0​
    Suhm, M. A. ; Farrell, J. T.; McIlroy, A. & Nesbitt, D. J.​ (1992) 
    The Journal of Chemical Physics, 97(8) pp. 5341​-5354​.​ DOI: https://doi.org/10.1063/1.463794 
    ​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
    ​ ​Anisotropic molecular reorientation of liquid benzene revisited. A study using 13 C magnetic relaxation through chemical shift anisotropy and spin rotation​
    Dölle, A.; Suhm, M. A.   & Weingärtner, H.​ (1991) 
    The Journal of Chemical Physics, 94(5) pp. 3361​-3365​.​ DOI: https://doi.org/10.1063/1.459759 
    ​Details  DOI 

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