JILA Science Publications

Displaying 101 - 200 of 339

2012

The Role of Counterion Valence and Size in GAAA Tetraloop-Receptor Docking/Undocking Kinetics
Julie Fiore, Erik Holmstrom, Larry Fiegland, Jose Hodak, David Nesbitt, Journal of Molecular Biology 423, 198-216 (2012).
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A "hot-spot" model for impulsive scattering at the gas-liquid interface
L. Phillips, David Nesbitt, Chemical Physics Letters 546, 53-57 (2012).
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Plasmonic Near-Electric Field Enhancement Effects in Ultrafast Photoelectron Emission: Correlated Spatial and Laser Polarization Microscopy Studies of Individual Ag Nanocubes
Andrej Grubisic, Emilie Ringe, Claire Cobley, Younan Xia, Laurence Marks, Richard Van Duyne, David Nesbitt, Nano Letters 12, 4823-4829 (2012).
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Toward State-to-State Dynamics in Ultracold Collisions: Lessons from High-Resolution Spectroscopy of Weakly Bound Molecular Complexes
David Nesbitt, Chemical Reviews 112, 5062-5072 (2012).
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Overtone vibrational spectroscopy in H2-H2O complexes: A combined high level theoretical ab initio, dynamical and experimental study
Michael Ziemkiewicz, Christian Pluetzer, David Nesbitt, Yohann Scribano, Alexandre Faure, Ad van der Avoird, The Journal of Chemical Physics 137, 084301 (2012).
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Inelastic Scattering of Radicals at the Gas-Ionic Liquid Interface: Probing Surface Dynamics of BMIM-Cl, BMIM-BF 4, and BMIM-Tf 2N by Rovibronic Scattering of NO [2 Π 1/2 (0.5)]
Michael Ziemkiewicz, Amelia Zutz, David Nesbitt, The Journal of Physical Chemistry C 116, 14284-14294 (2012).
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Intermolecular potential and rovibrational states of the H2O-D2 complex
Ad van der Avoird, Yohann Scribano, Alexandre Faure, M. Weida, Joanna Fair, David Nesbitt, Chemical Physics 399, 28-38 (2012).
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The surface of liquid gallium
L. Phillips, David Nesbitt, Chemical Physics Letters 536, 61-64 (2012).
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Thermodynamic Origins of Monovalent Facilitated RNA Folding
Erik Holmstrom, Julie Fiore, David Nesbitt, Biochemistry 51, 3732-3743 (2012).
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Anion Effects in the Scattering of CO2 from the Room-Temperature Ionic Liquids [bmim][BF4] and [bmim][Tf2N]: Insights from Quantum Mechanics/Molecular Mechanics Trajectories
Xiaohu Li, G. Schatz, David Nesbitt, The Journal of Physical Chemistry B 116, 3587-3602 (2012).
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A Single Molecule Kinetic and Thermodynamic Approach to Oligonucleotide Duplex Formation
N. Dupuis, David Nesbitt, Biophysical Journal 102, 276a (2012).
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Large-amplitude dynamics in vinyl radical: The role of quantum tunneling as an isomerization mechanism
A. Sharma, Joel Bowman, David Nesbitt, The Journal of Chemical Physics 136, 034305 (2012).
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Localized Heating of Single Oligonucleotides using Infrared Light
Erik Holmstrom, David Nesbitt, Biophysical Journal 102, 180a (2012).
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On probing ions at the gas-liquid interface by quantum state-resolved molecular beam scattering: the curious incident of the cation in the night time
Andrew Gisler, David Nesbitt, Faraday Discussions 157, 297 (2012).
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Single Molecule Studies of Streptavidin-Biotin Dissociation at Elevated Temperatures
David Nesbitt, N. Dupuis, Erik Holstrom, Biophysical Journal 102, 270a (2012).
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Sub-Doppler infrared spectroscopy of CH2D radical in a slit supersonic jet: Isotopic symmetry breaking in the CH stretching manifold
M. Roberts, C. Savage, F. Dong, Erin Sharp-Williams, Anne McCoy, David Nesbitt, The Journal of Chemical Physics 136, 234308 (2012).
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Time-Resolved Confocal Fluorescence Microscopy: A Generalized Approach Enables New Directions for FLIM, FRET and FCS
S. Fore, F. Koberling, Marcelle Koenig, Peter Kapusta, B. Kraemer, Benjamin Ewers, R. Erdmann, Steffen Ruettinger, Julie Fiore, David Nesbitt, Biophysical Journal 102, 199a (2012).
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2011

Dark state vibronic coupling in the ~A(2Π) <- X̃(2Σ+) band of ethynyl radical via high resolution infrared absorption spectroscopy
Erin Sharp-Williams, M. Roberts, David Nesbitt, Physical Chemistry Chemical Physics 13, 17474-17483 (2011).
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Quantum State Resolved Scattering from Room-Temperature Ionic Liquids: The Role of Cation versus Anion Structure at the Interface
J. Roscioli, David Nesbitt, The Journal of Physical Chemistry A 115, 9764-9773 (2011).
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Defining the hydrogen bond: An account (IUPAC Technical Report)
Elangannan Arunan, Gautam Desiraju, Roger Klein, Joanna Sadlej, Steve Scheiner, Ibon Alkorta, David Clary, Robert Crabtree, Joseph Dannenberg, Pavel Hobza, Henrik Kjaergaard, A. Legon, Benedetta Mennucci, David Nesbitt, Pure and Applied Chemistry 83, 1619-1636 (2011).
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State-to-state dynamics at the gas-liquid metal interface: Rotationally and electronically inelastic scattering of NO[2Π1/2(0.5)] from molten gallium
Michael Ziemkiewicz, J. Roscioli, David Nesbitt, The Journal of Chemical Physics 134, 234703 (2011).
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Kinetic Studies of the Photogeneration of Silver Nanoparticles
T. Baker, O. Monti, David Nesbitt, The Journal of Physical Chemistry C 115, 9861-9870 (2011).
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Molecular collision dynamics
Piergiorgio Casavecchia, Mark Brouard, Michel Costes, David Nesbitt, Evan Bieske, S. Kable, Physical Chemistry Chemical Physics 13, 8073 (2011).
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Polarization-Dependent Scanning Photoionization Microscopy: Ultrafast Plasmon-Mediated Electron Ejection Dynamics in Single Au Nanorods
V. Schweikhard, Andrej Grubisic, T. Baker, I. Thomann, David Nesbitt, ACS Nano 5, 3724-3735 (2011).
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Quantum state resolved velocity-map imaging spectroscopy: A new tool for collision dynamics at gas/self-assembled monolayer interfaces
J. Roscioli, David Nesbitt, Faraday Discussions 150, 471 (2011).
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Publisher Note: High resolution slit-jet infrared spectroscopy of ethynyl radical: 2Π-2Σ+ vibronic bands with sub-Doppler resolution [J. Chem. Phys. 134, 064314 (2011)]
Erin Sharp-Williams, M. Roberts, David Nesbitt, The Journal of Chemical Physics 134, 159901 (2011).
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High resolution slit-jet infrared spectroscopy of ethynyl radical: 2Π-2Σ+ vibronic bands with sub-Doppler resolution
Erin Sharp-Williams, M. Roberts, David Nesbitt, The Journal of Chemical Physics 134, 064314 (2011).
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Multiphoton Scanning Photoionization Imaging Microscopy for Single-Particle Studies of Plasmonic Metal Nanostructures
V. Schweikhard, Andrej Grubisic, T. Baker, David Nesbitt, The Journal of Physical Chemistry C 115, 83-91 (2011).
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Rovibrational states of the H2O-H2 complex: An ab initio calculation
Ad van der Avoird, David Nesbitt, The Journal of Chemical Physics 134, 044314 (2011).
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2010

High resolution Dopplerimetry of correlated angular and quantum state-resolved CO2 scattering dynamics at the gas-liquid interface
B. Perkins, David Nesbitt, Physical Chemistry Chemical Physics 12, 14294 (2010).
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Ab initio anharmonic vibrational frequency predictions for linear proton-bound complexes OC-H+-CO and N2-H+-N2
Kasia Terrill, David Nesbitt, Physical Chemistry Chemical Physics 12, 8311 (2010).
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Chemical dynamics of large amplitude motion
David Nesbitt, Martin Suhm, Physical Chemistry Chemical Physics 12, 8151 (2010).
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Real-Time Infrared Overtone Laser Control of Temperature in Picoliter H2O Samples: "Nanobathtubs" for Single Molecule Microscopy
Erik Holmstrom, David Nesbitt, The Journal of Physical Chemistry Letters 1, 2264-2268 (2010).
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Tunneling dynamics and spectroscopic parameters of monodeuterated hydronium, H2DO+, from a combined analysis of infrared and sub-millimeter spectra
H. Müller, F. Dong, David Nesbitt, Takashi Furuya, S. Saito, Physical Chemistry Chemical Physics 12, 8362 (2010).
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State-Resolved Scattering at Room-Temperature Ionic Liquid-Vacuum Interfaces: Anion Dependence and the Role of Dynamic versus Equilibrium Effects
J. Roscioli, David Nesbitt, The Journal of Physical Chemistry Letters 1, 674-678 (2010).
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Single Molecule FRET Studies of RNA Tertiary Folding: Elucidating the Thermodynamic and Kinetic Role of Na+ Cations
Erik Holmstrom, Julie Fiore, David Nesbitt, Biophysical Journal 98, 471a (2010).
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Stereodynamics at the Gas-Liquid Interface: Orientation and Alignment of CO <sub>2</sub> Scattered from Perfluorinated Liquid Surfaces <sup>†</sup>
B. Perkins, David Nesbitt, The Journal of Physical Chemistry A 114, 1398-1410 (2010).
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The Role of Bulges and Hinges in RNA Folding
Julie Fiore, David Nesbitt, Biophysical Journal 98, 471a (2010).
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2009

Single molecule studies of quantum dot fluorescence intermittency: evidence for both dark and light-assisted blinking dynamics
T. Baker, Jessica Rouge, David Nesbitt, Molecular Physics 107, 1867-1878 (2009).
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Toward Three-Dimensional Quantum State-Resolved Collision Dynamics at the Gas-Liquid Interface: Theoretical Investigation of Incident Angle <sup>†</sup>
B. Perkins, David Nesbitt, The Journal of Physical Chemistry A 113, 4613-4625 (2009).
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Enthalpy-driven RNA folding: single-molecule thermodynamics of tetraloop-receptor tertiary interaction
Julie Fiore, B. Kraemer, F. Koberling, R. Erdmann, David Nesbitt, Biochemistry 48, 2550-2558 (2009).
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Single-Molecule FRET Studies of Lysine Riboswitch Folding
Larry Fiegland, A. Garst, Julie Fiore, Robert Batey, David Nesbitt, Biophysical Journal 96, 576a (2009).
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A dipolar gas of ultracold molecules
K.-K. Ni, S. Ospelkaus, David Nesbitt, Jun Ye, Deborah Jin, Physical Chemistry Chemical Physics 11, 9626 (2009).
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Modified Power Law Behavior in Quantum Dot Blinking: A Novel Role for Biexcitons and Auger Ionization
Jeffrey Peterson, David Nesbitt, Nano Letters 9, 338-345 (2009).
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Nonadiabatic reactive scattering in atom+triatom systems: Nascent rovibronic distributions in F+H2O -> HF+OH
Michael Ziemkiewicz, David Nesbitt, The Journal of Chemical Physics 131, 054309 (2009).
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Dynamics of CO2 Scattering off a Perfluorinated Self-Assembled Monolayer. Influence of the Incident Collision Energy, Mass Effects, and Use of Different Surface Models
J. Nogueira, Saulo Vázquez, Oleg Mazyar, W. Hase, Robert Parson, David Nesbitt, Emilio Martínez-Núñez, The Journal of Physical Chemistry A 113, 3850-3865 (2009).
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2008

Quantum State-Resolved CO2 Collisions at the Gas-Liquid Interface:~ Surface Temperature-Dependent Scattering Dynamics
B. Perkins, David Nesbitt, The Journal of Physical Chemistry B 112, 507-519 (2008).
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Crossed jet reactive scattering dynamics of F+H2O\textrightarrowHF(v,J)+OH:HF(v,J) product quantum state distributions under single-collision conditions
A. Zolot, David Nesbitt, The Journal of Chemical Physics 129, 184305 (2008).
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Quantum-state resolved reactive scattering at the gas-liquid interface: F+squalane (C30H62) dynamics via high-resolution infrared absorption of nascent HF(v,J)
A. Zolot, P. Dagdigian, David Nesbitt, The Journal of Chemical Physics 129, 194705 (2008).
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Rotationally resolved infrared spectroscopy of a jet-cooled phenyl radical in the gas phase
Erin Sharp, M. Roberts, David Nesbitt, Physical Chemistry Chemical Physics 10, 6592 (2008).
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Correlated Angular and Quantum State-Resolved CO2 Scattering Dynamics at the Gas-Liquid Interface
B. Perkins, David Nesbitt, The Journal of Physical Chemistry A 112, 9324-9335 (2008).
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Introductory Tribute to Stephen R. Leone
C. Taatjes, D. Osborn, David Nesbitt, T. Zwier, The Journal of Physical Chemistry A 112, 9167-9168 (2008).
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Monovalent and Divalent Promoted GAAA Tetraloop-Receptor Tertiary Interactions from Freely Diffusing Single-Molecule Studies
Julie Fiore, Jose Hodak, Oliver Piestert, C. Downey, David Nesbitt, Biophysical Journal 95, 3892-3905 (2008).
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Chemical Dynamics Special Feature: Stereodynamics in state-resolved scattering at the gas-liquid interface
B. Perkins, David Nesbitt, Proceedings of the National Academy of Sciences 105, 12684-12689 (2008).
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Large-amplitude quantum mechanics in polyatomic hydrides. II. A particle-on-a-sphere model for XH[sub n] (n=4,5)
M. Deskevich, Anne McCoy, Jeremy Hutson, David Nesbitt, The Journal of Chemical Physics 128, 094306 (2008).
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Ab initio large-amplitude quantum-tunneling dynamics in vinyl radical: a vibrationally adiabatic approach
David Nesbitt, F. Dong, Physical Chemistry Chemical Physics 10, 2113 (2008).
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Evidence for excited spin-orbit state reaction dynamics in F+H2: Theory and experiment
François Lique, M. Alexander, Guoliang Li, H. Werner, S. Nizkorodov, W. Harper, David Nesbitt, The Journal of Chemical Physics 128, 084313 (2008).
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High-resolution infrared spectroscopy of jet-cooled vinyl radical: Symmetric CH2 stretch excitation and tunneling dynamics
F. Dong, M. Roberts, David Nesbitt, The Journal of Chemical Physics 128, 044305 (2008).
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Molecular Spectroscopy at Low Temperatures: A High Resolution Retrospective
S. Davis, F. Dong, David Nesbitt, , 231-294 (2008).
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Solution Control of Radiative and Nonradiative Lifetimes: A Novel Contribution to Quantum Dot Blinking Suppression
V. Fomenko, David Nesbitt, Nano Letters 8, 287-293 (2008).
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Suppressing nonspecific adsorption of proteins on the single-molecular level
Nicole Marmé, Haemi Lee, A. Friedrich, C.-W. Park, Julie Fiore, David Nesbitt, Jens-Peter Knemeyer, unknown 6862, 686212-686212 (2008).
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Ultrasensitive ultraviolet-visible 20 fs absorption spectroscopy of low vapor pressure molecules in the gas phase
C. Schriever, S. Lochbrunner, E. Riedle, David Nesbitt, Review of Scientific Instruments 79, 013107 (2008).
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2007

Quantum-State-Resolved CO2 Scattering Dynamics at the Gas-Liquid Interface: Dependence on Incident Angle
B. Perkins, David Nesbitt, The Journal of Physical Chemistry A 111, 7420-7430 (2007).
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Spectroscopy in slit supersonic jet discharges: fine and hyperfine structure calculations for asymmetric top radicals with multiple nuclear spins
David Nesbitt, E. Whitney, M. Roberts, C. Savage, Molecular Physics 105, 467-475 (2007).
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Photonics: Charge of the light brigade
David Nesbitt, Nature 450, 1172-1173 (2007).
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Quantum state resolved scattering dynamics of F+HCl→HF(v,J)+Cl
A. Zolot, David Nesbitt, The Journal of Chemical Physics 127, 114319 (2007).
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2006

Jet cooled spectroscopy of H 2DO+: Barrier heights and isotope-dependent tunneling dynamics from H3O+ to D3O+
F. Dong, David Nesbitt, The Journal of Chemical Physics 125, 144311 (2006).
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A Simple Picture for the Rotational Enhancement of the Rate for the F + HCl → HF + Cl Reaction: A Dynamical Study Using a New ab initio Potential Energy Surface
M. Hayes, M. Deskevich, David Nesbitt, Kaito Takahashi, J. Stacey, The Journal of Physical Chemistry A 110, 436-444 (2006).
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Jet-cooled infrared spectroscopy in slit supersonic discharges: Symmetric and antisymmetric CH 2 stretching modes of fluoromethyl CH 2F radical
E. Whitney, F. Dong, David Nesbitt, The Journal of Chemical Physics 125, 054304 (2006).
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Quantum-State-Resolved CO2 Scattering Dynamics at the Gas-Liquid Interface: Incident Collision Energy and Liquid Dependence
B. Perkins, David Nesbitt, The Journal of Physical Chemistry B 110, 17126-17137 (2006).
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Quantum-state resolved reaction dynamics at the gas-liquid interface: Direct absorption detection of HF(v,J) product from F([sup 2]P)+squalane
A. Zolot, W. Harper, B. Perkins, P. Dagdigian, David Nesbitt, The Journal of Chemical Physics 125, 021101 (2006).
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Multireference configuration interaction calculations for the F2P+HCl\textrightarrowHF+Cl2P reaction: A correlation scaled ground state (1 2] A potential energy surface
M. Deskevich, M. Hayes, Kaito Takahashi, R. Skodje, David Nesbitt, The Journal of Chemical Physics 124, 224303 (2006).
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Metal Ion Dependence, Thermodynamics, and Kinetics for Intramolecular Docking of a GAAA Tetraloop and Receptor Connected by a Flexible Linker †
C. Downey, Julie Fiore, Colby Stoddard, Jose Hodak, David Nesbitt, A. Pardi, Biochemistry 45, 3664-3673 (2006).
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Slit Discharge IR Spectroscopy of a Jet-Cooled Cyclopropyl Radical:~ Structure and Intramolecular Tunneling Dynamics <sup>\textdagger</sup>
F. Dong, S. Davis, David Nesbitt, The Journal of Physical Chemistry A 110, 3059-3070 (2006).
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CH stretch/internal rotor dynamics in ethyl radical: High-resolution spectroscopy of the ethyl CH3-stretch manifold
T. Häber, A. Blair, David Nesbitt, Michael Schuder, Journal of Chemical Physics 124, (2006).
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High-resolution infrared studies in slit supersonic discharges: CH2 stretch excitation of jet-cooled CH2Cl radical
E. Whitney, T. Häber, Michael Schuder, A. Blair, David Nesbitt, The Journal of Chemical Physics 125, 054303 (2006).
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Imaging nanostructures with scanning photoionization microscopy
O. Monti, T. Baker, David Nesbitt, The Journal of Chemical Physics 125, 154709 (2006).
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Quantum Deconstruction of the Infrared Spectrum of CH5+
X. Huang, Anne McCoy, Joel Bowman, L. Johnson, C. Savage, F. Dong, David Nesbitt, Science 311, 60-63 (2006).
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2005

Correction for Hodak et al., Docking kinetics and equilibrium of a GAAA tetraloop-receptor motif probed by single-molecule FRET, PNAS 2005 102:10505-10510
Jose Hodak, C. Downey, Julie Fiore, A. Pardi, David Nesbitt, Proceedings of the National Academy of Sciences 102, 13351-13351 (2005).
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Direct evidence for nonadiabatic dynamics in atom+polyatom reactions: Crossed-jet laser studies of F+D2O->DF+OD
Michael Ziemkiewicz, Michael Wojcik, David Nesbitt, The Journal of Chemical Physics 123, 224307 (2005).
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Docking kinetics and equilibrium of a GAAA tetraloop-receptor motif probed by single-molecule FRET
Jose Hodak, Julie Fiore, David Nesbitt, C. Downey, A. Pardi, Proceedings of the National Academy of Sciences 102, 10505-10510 (2005).
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Large amplitude quantum mechanics in polyatomic hydrides. I. A particles-on-a-sphere model for XH n
M. Deskevich, David Nesbitt, The Journal of Chemical Physics 123, 084304 (2005).
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Overtone spectroscopy of H2O clusters in the vOH = 2 manifold: Infrared-ultraviolet vibrationally mediated dissociation studies
S. Nizkorodov, M. Ziemkiewicz, David Nesbitt, A. Knight, J. Chem. Phys. 122, (2005).
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Reactive scattering dynamics in atom+polyatomic systems: F+C2H6\textrightarrowHF(v,J)+ C2H5
E. Whitney, A. Zolot, S. McGee, J. Francisco, David Nesbitt, The Journal of Chemical Physics 122, 124310 (2005).
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Supersonically cooled hydronium ions in a slit-jet discharge: High-resolution infrared spectroscopy and tunneling dynamics of HD2O+
F. Dong, Dairene Uy, S. Davis, M. Child, David Nesbitt, The Journal of Chemical Physics 122, 224301 (2005).
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2004

Intramolecular energy transfer between oriented chromophores: High resolution infrared spectroscopy of HCl trimer
Michal Fárnı́k, David Nesbitt, J. Chem. Phys. 121, (2004).
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Dynamically weighted multiconfiguration self-consistent field: Multistate calculations for F+H2O→HF+OH reaction paths
M. Deskevich, David Nesbitt, H. Werner, Journal of Chemical Physics 120, (2004).
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Intracluster stereochemistry in van der Waals complexes: Steric effects in UV photodissociation of state-selected Ar-HOD/H2O
O. Votava, S. Mackenzie, David Nesbitt, J. Chem. Phys. 120, 8443-8452 (2004).
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Structural Issues in Conjugated Hydrocarbons: High-Resolution Infrared Slit-Jet Spectroscopy of trans -1,3-Butadiene
M. Halonen, L. Halonen, David Nesbitt, The Journal of Physical Chemistry A 108, 3367-3372 (2004).
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Diffraction-limited photogeneration and characterization of silver nanoparticles
O. Monti, J. Fourkas, David Nesbitt, J. Phys. Chem. B 108, 1604-1612 (2004).
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2003

Probing hydrogen bond potential surfaces for out-of-plane geometries: Near-infrared combination band torsional ν6 spectroscopy in HCl2
Michal Fárnı́k, S. Davis, David Nesbitt, The Journal of Chemical Physics 118, 10137 (2003).
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Vibrationally mediated dissociation dynamics of H2O in the vOH=2 polyad
S. Nizkorodov, Michael Ziemkiewicz, Tanya Myers, David Nesbitt, The Journal of Chemical Physics 119, 10158 (2003).
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2002

Observation and analysis of the infrared spectra of O2-HF near 3950 cm(-1] and O 2-DF near 2900 cm(-1)
Wafaa Fawzy, C. Lovejoy, David Nesbitt, J. Hougen, The Journal of Chemical Physics 117, 693 (2002).
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Beyond the Born-Oppenheimer approximation: High-resolution overtone spectroscopy of H2D + and D2H +
Michal Fárnı́k, S. Davis, Maxim Kostin, Oleg Polyansky, J. Tennyson, David Nesbitt, The Journal of Chemical Physics 116, 6146 (2002).
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Probing potential surfaces for hydrogen bonding: Near-infrared combination band spectroscopy of van der Waals stretch (ν4) and geared bend (ν5) vibrations in (HCl)2
Michal Fárnı́k, S. Davis, Michael Schuder, David Nesbitt, The Journal of Chemical Physics 116, 6132 (2002).
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Reactive scattering of F+HD -> HF(v,J)+D: HF(v,J) nascent product state distributions and evidence for quantum transition state resonances
W. Harper, S. Nizkorodov, David Nesbitt, The Journal of Chemical Physics 116, 5622 (2002).
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Intramolecular energy flow and nonadiabaticity in vibrationally mediated chemistry: Wave packet studies of Cl+H2O
Joanna Fair, Doug Schaefer, R. Kosloff, David Nesbitt, The Journal of Chemical Physics 116, 1406 (2002).
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2001

Reactivity of vibrationally excited methane on nickel surfaces
L. Halonen, S. Bernasek, David Nesbitt, The Journal of Chemical Physics 115, 5611 (2001).
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Concentration modulation spectroscopy with a pulsed slit supersonic discharge expansion source
S. Davis, Michal Fárnı́k, Dairene Uy, David Nesbitt, Chemical Physics Letters 344, 23-30 (2001).
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Fast vibrational relaxation of OH(v=9) by ammonia and ozone
S. Nizkorodov, W. Harper, David Nesbitt, Chemical Physics Letters 341, 107-114 (2001).
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