Recent Papers in these Areas:
F. Dong and D. J. Nesbitt, “Jet-Cooled spectroscopy of H2DO+: Barrier heights and isotope-dependent tunneling dynamics from H3O+ to D3O,” J. Chem. Phys. 125 144311 (2006).
D. J. Nesbitt, E. S. Whitney, M. Roberts, and C. Savage, “Spectroscopy in slit supersonic jet discharges: Fine and hyperfine structure calculations for asymmetric top radicals with multiple nuclear spins,” Mol. Phys. 105, 467 (2007).
M. P. Deskevich, A. B. McCoy, J. M. Hutson and D. J. Nesbitt, “Large amplitude quantum mechanics in polyatomic hydrides: II. Particle-on-a-sphere model for XHn (n=4,5),” J. Chem. Phys. 128, 094306 (2008).
S. Davis, F. Dong and D. J. Nesbitt, “Molecular Spectroscopy at Low Temperatures: A High Resolution Infrared Retrospective,” in Low Temperatures and Cold Molecules, I. W. M Smith, editor (World Scientific, London, 2008).
F. Dong, M. Roberts and D. J. Nesbitt, “High-resolution infrared spectroscopy of jet cooled vinyl radical: Symmetric CH2 stretch excitation and tunneling dynamics,” J. Chem. Phys. 128, 044305 (2008).
D. J. Nesbitt and F. Dong, “Ab initio large amplitude quantum tunneling dynamics in vinyl radical: A vibrationally adiabatic approach,” Phys. Chem. Chem. Phys 10, 2113 (2008).
E. N. Sharp, M. A. Roberts and D. J. Nesbitt, “Rotationally resolved infrared spectroscopy of jet cooled phenyl radical in the gas phase: out-of-phase symmetric CH stretch excitation,” Phys. Chem. Chem. Phys. 10, 6592-6596 (2008).
K.-K. Ni, S. Ospelkaus, D. J. Nesbitt, J. Ye and D. S. Jin, “A dipolar gas of ultracold molecules,” Phys. Chem. Chem. Phys. 11, 9626-9639 (2009).
E. Arunan, G. R. Desiraju, R. A. Klein, J. Sadlej, S. Scheiner, I. Alkorta, D. C. Clary, R. H. Crabtree, J. J. Dannenberg, P. Hobza, H. G. Kjaergaard, A. C. Legon, B. Mennucci and D. J. Nesbitt, “Definition of the hydrogen bond,” Int. Union of Pure App. Chem. (2010).
H. S. P. Müller, F. Dong, D. J. Nesbitt, T. Furuya and S. Saito, “Tunneling dynamics and spectroscopic parameters of monodeuterated hydronium, H2DO+, from a combined analysis of infrared and submilli-meter spectra,” Phys. Chem. Chem. Phys 12, 8362-8372 (2010).
K. Terrill and D. J. Nesbitt, “Ab Initio anharmonic vibrational frequency predictions for linear proton-bound complexes OC-H+-CO and N2-H+-N2,” Phys. Chem. Chem. Phys. 12, 8311 (2010).
D. J. Nesbitt and M. A. Suhm, “Chemical dynamics of large amplitude motion,” Phys. Chem. Chem. Phys. 12, 8151-8151 (2010).
E. Sharp-Williams, M. A. Roberts, and D. J. Nesbitt, “High resolution slit-jet infrared spectroscopy of ethynyl radical: 2P-2S+ vibronic bands with sub-Doppler resolution,” J. Chem. Phys. 134, 064314 (2011).
C. Savage, F. Dong and D. J. Nesbitt, “High resolution spectroscopy of jet cooled CH5+: Progress,” American Institute of Physics, Proceedings International Conference of Computational Methods in Sciences and Engineering (in press).
A. van der Avoird and D. J. Nesbitt, “Rovibrational states of the H2O-H2 complex: An ab initio calculation,” J. Chem. Phys 134, 044314 (2011).
A. van der Avoird, Y. Scribano, A. Faure, M. J. Weida, J. R. Fair, and D. J. Nesbitt, “Intermolecular potential and rovibrational states of the H2O-D2 complex,” Chem. Phys. 399, 28-38 (2012).
A. R. Sharma, J. M. Bowman, D. J. Nesbitt, “Large-amplitude dynamics in vinyl radical: The role of quantum tunneling as an isomerization mechanism,” J. Chem. Phys. 136, 034305 (2012).
M. A. Roberts, C. Savage, F. Dong, E. N. Sharp-Williams, A. B. McCoy, and D. J. Nesbitt, “Sub-Doppler Infrared Spectroscopy of CH2D Radical in a Slit Supersonic Jet: Isotopic Symmetry Breaking in the C-H Stretching Manifold,” J. Chem. Phys. 136, 234308 (2012).
M. P. Ziemkiewicz, C. Pluetzer, D. J. Nesbitt, Y. Scribano, A. Faure, A. van der Avoird, “Overtone vibrational spectroscopy in H2-H2O complexes: A combined high level theoretical ab initio, dynamical and experimental study,” J. Chem. Phys. 137, 084301 (2012).
D. J. Nesbitt, “Toward state-to-state dynamics in ultracold collisions: Lessons from high resolution spectroscopy of weakly bound molecular complexes,” Chem. Rev. dx.doi.org/10.1021/cr300208b (2012).