Dr. Daniel Obenchain

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unigoe
 

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  • 2022 | Journal Article | 
    ​ ​Structures of the (Imidazole)nH+ ... Ar (n=1,2,3) complexes determined from IR spectroscopy and quantum chemical calculations​
    Tikhonov, D. S.; Scutelnic, V.; Sharapa, D. I.; Krotova, A. A.; Dmitrieva, A. V.; Obenchain, D.   & Schnell, M.​ (2022) 
    Structural Chemistry,.​ DOI: https://doi.org/10.1007/s11224-022-02053-4 
    ​Details  DOI 
  • 2021 | Journal Article
    ​ ​Van der Waals interactions of the disulfide bond revealed: A microwave spectroscopic study of the diethyl disulfide–argon complex​
    Lu, T.; Obenchain, D. A. ; Zhang, J.; Grabow, J.-U. & Feng, G.​ (2021) 
    The Journal of Chemical Physics, 154(12) pp. 124306​.​ DOI: https://doi.org/10.1063/5.0043615 
    ​Details  DOI 
  • 2020 | Journal Article | Research Paper
    ​ ​Internal rotation and chlorine nuclear quadrupole coupling in 2-chloro-4-fluorotoluene explored by microwave spectroscopy and quantum chemistry​
    Nair, K. P. R.; Herbers, S.; Bailey, W. C.; Obenchain, D. A. ; Lesarri, A.; Grabow, J.-U. & Nguyen, H. V. L.​ (2020) 
    Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy, 247 art. 119120​.​ DOI: https://doi.org/10.1016/j.saa.2020.119120 
    ​Details  DOI  PMID  PMC 
  • 2020 | Journal Article
    ​ ​The first microsolvation step for furans: New experiments and benchmarking strategies​
    Gottschalk, H. C.; Poblotzki, A.; Fatima, M.; Obenchain, D. A. ; Pérez, C.; Antony, J. & Auer, A. A. et al.​ (2020) 
    The Journal of Chemical Physics, 152(16) pp. 164303​.​ DOI: https://doi.org/10.1063/5.0004465 
    ​Details  DOI  PMID  PMC 
  • 2020 | Journal Article | Research Paper
    ​ ​XeOCS: relatively straightforward?​
    Kraus, P.; Obenchain, D. A. ; Herbers, S.; Wachsmuth, D.; Frank, I. & Grabow, J.-U.​ (2020) 
    Physical Chemistry, Chemical Physics, 22(10) pp. 5615​-5624​.​ DOI: https://doi.org/10.1039/d0cp00334d 
    ​Details  DOI  PMID  PMC 
  • 2020 | Journal Article
    ​ ​New findings from old data: A semi-experimental value for the eQq of the nitrogen atom​
    Pinacho, P.; Obenchain, D. A.   & Schnell, M.​ (2020) 
    The Journal of Chemical Physics, 153(23) pp. 234307​.​ DOI: https://doi.org/10.1063/5.0033071 
    ​Details  DOI 
  • 2020 | Preprint
    ​ ​Xe···OCS: Relatively Straightforward?​
    Grabow, J.-U.; Frank, I.; Wachsmuth, D.; Herbers, S.; Obenchain, D. A.  & Kraus, P.​ (2020). DOI: https://doi.org/10.26434/chemrxiv.11555580 
    ​Details  DOI 
  • 2020 | Journal Article | Research Paper
    ​ ​The puzzling hyper-fine structure and an accurate equilibrium geometry of succinic anhydride​
    Jahn, M. K.; Obenchain, D. A. ; Nair, K. P. R.; Grabow, J.-U.; Vogt, N.; Demaison, J. & Godfrey, P. D. et al.​ (2020) 
    Physical Chemistry, Chemical Physics, 22(9) pp. 5170​-5177​.​ DOI: https://doi.org/10.1039/C9CP06775B 
    ​Details  DOI 
  • 2019 | Journal Article | Research Paper
    ​ ​Tetrel bonds and conformational equilibria in the formamide–CO2 complex: a rotational study​
    Gao, S.; Obenchain, D. A. ; Lei, J.; Feng, G.; Herbers, S.; Gou, Q. & Grabow, J.-U.​ (2019) 
    Physical Chemistry, Chemical Physics, 21(13) pp. 7016​-7020​.​ DOI: https://doi.org/10.1039/C9CP00055K 
    ​Details  DOI 
  • 2018 | Journal Article | Research Paper
    ​ ​Ab initio conformational analysis of 1,2,3,4-tetrahydroquinoline and the high-resolution rotational spectrum of its lowest energy conformer​
    Luková, K.; Nesvadba, R.; Uhlíková, T.; Obenchain, D. A. ; Wachsmuth, D.; Grabow, J.-U. & Urban, Š.​ (2018) 
    Physical Chemistry, Chemical Physics, 20(21) pp. 14664​-14670​.​ DOI: https://doi.org/10.1039/c8cp00953h 
    ​Details  DOI  PMID  PMC 
  • 2018 | Journal Article | Research Paper
    ​ ​Blurring out hydrogen: The dynamical structure of teflic acid​
    Herbers, S.; Obenchain, D. A. ; Kraus, P.; Wachsmuth, D. & Grabow, J.-U.​ (2018) 
    The Journal of Chemical Physics, 148(19) pp. 194307​.​ DOI: https://doi.org/10.1063/1.5027487 
    ​Details  DOI  PMID  PMC 
  • 2018 | Journal Article | Research Paper
    ​ ​Benchmark-Quality Semiexperimental Structural Parameters of van der Waals Complexes​
    Kraus, P.; Obenchain, D. A.   & Frank, I.​ (2018) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 122(4) pp. 1077​-1087​.​ DOI: https://doi.org/10.1021/acs.jpca.7b10797 
    ​Details  DOI  PMID  PMC 
  • 2018 | Journal Article | Research Paper
    ​ ​Rotational characterization of methyl methacrylate: Internal dynamics and structure determination​
    Herbers, S.; Wachsmuth, D.; Obenchain, D. A.   & Grabow, J.-U.​ (2018) 
    Journal of Molecular Spectroscopy, 343 pp. 96​-101​.​ DOI: https://doi.org/10.1016/j.jms.2017.10.006 
    ​Details  DOI 
  • 2018 | Journal Article | Research Paper
    ​ ​The low internal rotation barriers of halogenated toluenes: Rotational spectrum of 2,4-difluorotoluene​
    Nair, K. P. R.; Herbers, S.; Obenchain, D. A. ; Grabow, J.-U. & Lesarri, A.​ (2018) 
    Journal of Molecular Spectroscopy, 344 pp. 21​-26​.​ DOI: https://doi.org/10.1016/j.jms.2017.10.003 
    ​Details  DOI 
  • 2017 | Journal Article | Research Paper
    ​ ​The covalent interaction between dihydrogen and gold: A rotational spectroscopic study of H2-AuCl​
    Obenchain, D. A. ; Frank, D. S.; Grubbs, G. S.; Pickett, H. M. & Novick, S. E.​ (2017) 
    The Journal of Chemical Physics, 146(20) pp. 204302​.​ DOI: https://doi.org/10.1063/1.4983042 
    ​Details  DOI  PMID  PMC 
  • 2017 | Journal Article | Research Paper
    ​ ​A study of the conformational isomerism of 1-iodobutane by high resolution rotational spectroscopy​
    Arsenault, E. A.; Obenchain, D. A. ; Blake, T. A.; Cooke, S. A. & Novick, S. E.​ (2017) 
    Journal of Molecular Spectroscopy, 335 pp. 17​-22​.​ DOI: https://doi.org/10.1016/j.jms.2017.03.014 
    ​Details  DOI 
  • 2017 | Journal Article | Research Paper
    ​ ​Nuclear quadrupole coupling in SiH2I2 due to the presence of two iodine nuclei​
    Arsenault, E. A.; Obenchain, D. A. ; Orellana, W. & Novick, S. E.​ (2017) 
    Journal of Molecular Spectroscopy, 338 pp. 72​-76​.​ DOI: https://doi.org/10.1016/j.jms.2017.06.001 
    ​Details  DOI 
  • 2017 | Journal Article | Research Paper | 
    ​ ​Microwave spectroscopic detection of flame-sampled combustion intermediates​
    Hansen, N.; Wullenkord, J.; Obenchain, D. A. ; Graf, I.; Kohse-Höinghaus, K. & Grabow, J.-U.​ (2017) 
    RSC Advances, 7(60) pp. 37867​-37872​.​ DOI: https://doi.org/10.1039/C7RA06483G 
    ​Details  DOI 
  • 2016 | Journal Article | Research Paper
    ​ ​A Study of 2-Iodobutane by Rotational Spectroscopy​
    Arsenault, E. A.; Obenchain, D. A. ; Choi, Y. J.; Blake, T. A.; Cooke, S. A. & Novick, S. E.​ (2016) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 120(36) pp. 7145​-7151​.​ DOI: https://doi.org/10.1021/acs.jpca.6b06938 
    ​Details  DOI  PMID  PMC 
  • 2016 | Journal Article | Research Paper
    ​ ​The pure rotational spectrum of a Claisen rearrangement precursor Allyl Phenyl Ether using CP-FTMW spectroscopy​
    Grubbs, G. S.; Frank, D. S.; Obenchain, D. A. ; Cooke, S. A. & Novick, S. E.​ (2016) 
    Journal of Molecular Spectroscopy, 324 pp. 1​-5​.​ DOI: https://doi.org/10.1016/j.jms.2016.04.001 
    ​Details  DOI 
  • 2016 | Journal Article | Research Paper
    ​ ​Rotational spectroscopy of 2H,3H-perfluoropentane​
    Duong, C. H.; Obenchain, D. A. ; Cooke, S. & Novick, S. E.​ (2016) 
    Journal of Molecular Spectroscopy, 324 pp. 53​-55​.​ DOI: https://doi.org/10.1016/j.jms.2016.04.008 
    ​Details  DOI 
  • 2016 | Journal Article | Research Paper
    ​ ​Microwave spectrum of 1-bromobutane​
    Kim, J.; Jang, H.; Ka, S.; Obenchain, D. A. ; Peebles, R. A.; Peebles, S. A. & Oh, J. J.​ (2016) 
    Journal of Molecular Spectroscopy, 328 pp. 50​-58​.​ DOI: https://doi.org/10.1016/j.jms.2016.08.004 
    ​Details  DOI 
  • 2015 | Journal Article | Research Paper
    ​ ​A Study of the Monohydrate and Dihydrate Complexes of Perfluoropropionic Acid Using Chirped-Pulse Fourier Transform Microwave (CP-FTMW) Spectroscopy​
    Grubbs, G. S.; Obenchain, D. A. ; Frank, D. S.; Novick, S. E.; Cooke, S. A.; Serrato, A. & Lin, W.​ (2015) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 119(42) pp. 10475​-10480​.​ DOI: https://doi.org/10.1021/acs.jpca.5b08347 
    ​Details  DOI  PMID  PMC 
  • 2015 | Journal Article | Research Paper
    ​ ​The position of deuterium in HOD-NNO as determined by structural and nuclear quadrupole coupling constants​
    Obenchain, D. A. ; Frank, D. S.; Novick, S. E. & Klemperer, W.​ (2015) 
    The Journal of Chemical Physics, 143(8) art. 084301​.​ DOI: https://doi.org/10.1063/1.4928687 
    ​Details  DOI  PMID  PMC 
  • 2015 | Journal Article | Research Paper
    ​ ​Internal dynamics in the molecular complex of CF3CN and H2O​
    Lin, W.; Wu, A.; Lu, X.; Tang, X.; Obenchain, D. A.   & Novick, S. E.​ (2015) 
    Physical Chemistry, Chemical Physics, 17(26) pp. 17266​-17270​.​ DOI: https://doi.org/10.1039/c5cp01550b 
    ​Details  DOI  PMID  PMC 
  • 2014 | Journal Article | Research Paper
    ​ ​H₂-AgCl: a spectroscopic study of a dihydrogen complex​
    Grubbs, G. S.; Obenchain, D. A. ; Pickett, H. M. & Novick, S. E.​ (2014) 
    The Journal of Chemical Physics, 141(11) pp. 114306​.​ DOI: https://doi.org/10.1063/1.4895904 
    ​Details  DOI  PMID  PMC 
  • 2014 | Journal Article | Research Paper
    ​ ​Rotational spectroscopic studies of C-H · · · F interactions in the vinyl fluoride · · · difluoromethane complex​
    Christenholz, C. L.; Obenchain, D. A. ; Peebles, R. A. & Peebles, S. A.​ (2014) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 118(9) pp. 1610​-1616​.​ DOI: https://doi.org/10.1021/jp500312r 
    ​Details  DOI  PMID  PMC 
  • 2012 | Journal Article | Research Paper
    ​ ​Molecular structure of methyldifluoroisocyanato silane: a combined microwave spectral and theoretical study​
    Guirgis, G. A.; Overby, J. S.; Palmer, M. H.; Peebles, R. A.; Peebles, S. A.; Elmuti, L. F. & Obenchain, D. A.  et al.​ (2012) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 116(30) pp. 7822​-7829​.​ DOI: https://doi.org/10.1021/jp302519h 
    ​Details  DOI  PMID  PMC 
  • 2012 | Journal Article | Research Paper
    ​ ​Microwave, infrared and Raman spectra, r0 structural parameters, ab initio calculations and vibrational assignment of 1-fluoro-1-silacyclopentane​
    Durig, J. R.; Panikar, S. S.; Obenchain, D. A. ; Bills, B. J.; Lohan, P. M.; Peebles, R. A. & Peebles, S. A. et al.​ (2012) 
    The Journal of Chemical Physics, 136(4) art. 044306​.​ DOI: https://doi.org/10.1063/1.3673889 
    ​Details  DOI  PMID  PMC 
  • 2012 | Journal Article | Research Paper
    ​ ​Reduced bandwidth chirped-pulse microwave spectroscopy for analysis of weakly bound dimers: Rotational spectrum and structural analysis of CH2ClF⋯FHCCH2​
    Christenholz, C. L.; Obenchain, D. A. ; Peebles, S. A. & Peebles, R. A.​ (2012) 
    Journal of Molecular Spectroscopy, 280 pp. 61​-67​.​ DOI: https://doi.org/10.1016/j.jms.2012.06.003 
    ​Details  DOI 
  • 2012 | Journal Article | Research Paper
    ​ ​The rotational spectrum of perfluoropropionic acid​
    Grubbs, G.; Serrato, A.; Obenchain, D. A. ; Cooke, S.; Novick, S. E. & Lin, W.​ (2012) 
    Journal of Molecular Spectroscopy, 275 pp. 1​-4​.​ DOI: https://doi.org/10.1016/j.jms.2012.04.003 
    ​Details  DOI 
  • 2012 | Journal Article | Research Paper
    ​ ​Microwave spectrum and structure of pentafluorobenzene​
    Bills, B. J.; Carroll, D. M.; Elliott, A. A.; Obenchain, D. A. ; Peebles, S. A. & Peebles, R. A.​ (2012) 
    Journal of Molecular Structure, 1023 pp. 149​-153​.​ DOI: https://doi.org/10.1016/j.molstruc.2012.04.067 
    ​Details  DOI 
  • 2011 | Journal Article | Research Paper
    ​ ​C-H···π interactions in the CHBrF2···HCCH weakly bound dimer​
    Obenchain, D. A. ; Bills, B. J.; Christenholz, C. L.; Elmuti, L. F.; Peebles, R. A.; Peebles, S. A. & Neill, J. L. et al.​ (2011) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 115(44) pp. 12228​-12234​.​ DOI: https://doi.org/10.1021/jp208603m 
    ​Details  DOI  PMID  PMC 
  • 2011 | Journal Article | Research Paper
    ​ ​Microwave and vibrational spectra, ab initio calculations, conformational stabilities and assignments of the fundamentals of the Cs conformer of n-butylsilane​
    Stidham, H. D.; LaPlante, A. J.; Oh, J.-J.; Obenchain, D. A. ; Peebles, S. A.; Peebles, R. A. & Wurrey, C. J. et al.​ (2011) 
    Journal of Molecular Structure, 1003(1-3) pp. 31​-40​.​ DOI: https://doi.org/10.1016/j.molstruc.2011.06.048 
    ​Details  DOI 
  • 2010 | Journal Article | Research Paper
    ​ ​The molecular structure of difluoroisocyanato silane: A combined microwave spectral and theoretical study​
    Guirgis, G. A.; Wang, Z.; Lirjoni, J.; Palmer, M. H.; Obenchain, D. A. ; Peebles, R. A. & Peebles, S. A.​ (2010) 
    Journal of Molecular Structure, 983(1-3) pp. 5​-11​.​ DOI: https://doi.org/10.1016/j.molstruc.2010.07.044 
    ​Details  DOI 
  • 2010 | Journal Article | Research Paper
    ​ ​Rotational spectrum of three conformers of 3,3-difluoropentane: Construction of a 480MHz bandwidth chirped-pulse Fourier-transform microwave spectrometer​
    Obenchain, D. A. ; Elliott, A. A.; Steber, A. L.; Peebles, R. A.; Peebles, S. A.; Wurrey, C. J. & Guirgis, G. A.​ (2010) 
    Journal of Molecular Spectroscopy, 261(1) pp. 35​-40​.​ DOI: https://doi.org/10.1016/j.jms.2010.03.002 
    ​Details  DOI 

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