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Search Publications by: David Nesbitt (Fed)

Displaying 51 - 75 of 233

Vibrational energy flow in highly excited molecules: Role of intramolecular vibrational redistribution

October 16, 2008

Author(s)

David Nesbitt, R W. Field

A pedagogical overview of intramolecular vibrational redistribution (IVR) phenomena in vibrationally excited molecules is presented. In the interest of focus and simplicity, the topics covered deal primarily with IVR in the ground electronic state, relying

CH Stretch/Internal Rotor Dynamics in Ethyl Radical: High-Resolution Spectroscopy in the CD^d3-Stretch Manifold

February 1, 2006

Author(s)

Thomas Haber, Andrew C. Blair, David Nesbitt

High resolution IR absorption spectra of supersonically cooled ethyl radicals (T rot19 K) have ben obtained in a slit supersonic jet discharge expansion, revealing first rotationally resolved data for CH stretch excitation of the methyl group. Three

High-resolution infrared studies in supersonic discharges: CH 2 stretch excitation of jet-cooled CH 2 Cl radical

January 1, 2006

Author(s)

E S. Whitney, T Haeber, M D. Schuder, Andrew C. Blair, David Nesbitt

Hyperconjugation dynamics in alkyl radicals: High-resolution spectroscopy of the ethyl CH-stretch manifold

January 1, 2006

Author(s)

Thomas Haber, Andrew C. Blair, M D. Schuder, David Nesbitt

Jet-cooled infrared spectroscopy in slit supersonic discharges: Symmetric and antisymmetric CH 2 stretching modes of fluoromethyl (CH 2 F) radical

January 1, 2006

Author(s)

E S. Whitney, Feng Dong, David Nesbitt

Metal ion dependence, thermodynamics, and kinetics for intramolecular docking of a GAAA tetraloop and receptor connected by a flexible linker

January 1, 2006

Author(s)

C D. Downey, J L. Fiore, C D. Stoddard, J H. Hodak, David Nesbitt, A Pardi

Multireference configuration interaction calculations for the F( 2 P) + HCl - HF + Cl( 2 P) reaction: A correlation scaled ground state (1 2 A') potential energy surface

January 1, 2006

Author(s)

M P. Deskevich, M Y. Hayes, K Takahashi, R T. Skodje, David Nesbitt

Quantum Deconstruction of the Infra-Red Spectrum of CH 5 +

January 1, 2006

Author(s)

X Huang, A B. McCoy, Joel M. Bowman, L M. Johnson, Feng Dong, Chandra Savage, David Nesbitt

We present two quantum calculations of the infra-red spectrum of CH 5u+ using full dimensional, ab initio-based potential energy and dipole moment surfaces. The calculated spectra compare well with the recent experimental Laser Induced Reaction (LIR)

Quantum deconstruction of the infra-red spectrum of CH5 +

January 1, 2006

Author(s)

X Huang, A B. McCoy, Joel M. Bowman, L M. Johnson, C Savage, Feng Dong, David Nesbitt

Quantum-state resolved reaction dynamics at the gas-liquid interface: Direct absorption detection of HF(v,J) product from F( 2 P) + squalane

January 1, 2006

Author(s)

A M. Zolot, W W. Harper, B G. Perkins, P J. Dagdigian, David Nesbitt

Quantum-state-resolved CO 2 scattering dynamics at the gas-liquid interface: Incident collision energy and liquid dependence

January 1, 2006

Author(s)

B G. Perkins jr, David Nesbitt

Quantum State-Resolved Energy Transfer Dynamics at Gas-Liquid Interfaces: IR Laser Studies of CO^d2 Scattering from Perfluorinated Liquids

September 1, 2005

Author(s)

B G. Perkins, David Nesbitt

An apparatus for detailed study of quantum state resolved inelastic energy transfer dynamics at the gas-liquied interface is described. The approach relies on supersonic jet cooled molecular beams impinging on a continually renewable liquid surface in

Large Amplitude Quantum Mechanics in Polyatomic Hydrides:I. A Particles-on-a-Sphere Model for XH^dn.

August 1, 2005

Author(s)

M Deskevich, David Nesbitt

A framework is presented for converged quantum mechanical calculations on large amplitude dynamics in polyatomic hydrides (XH n), based on a relatively simple but computationally tractable particles-on-a-sphere (POS) model for the intramolecular motion of

Supersonically Cooled Moleculear Ions in a Slit-Jet Discharge: High-Resolution Infrared Spectrscopy and Tunneling Dynamics of HD 2 O+

June 1, 2005

Author(s)

Feng Dong, D Uy, S Davis, Mark Child, David Nesbitt

Jet-cooled high-resolution infrared spectra of partially deuterated hydronium (HD 2O+) in the O-H stretch region (v 3 band) are obtained for the first time, exploiting the high ion densities, long absorption path lengths, and concentration modulation