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Displaying 51 - 75 of 231

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