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The Journal of Chemical Physics
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February 25, 2012
Bi-fidelity fitting and optimization
Ryan L Miller, Lawrence B Harding, Michael J Davis, et al.
The Journal of Physical Chemistry Letters
|
August 19, 2015
Unconventional Peroxy Chemistry in Alcohol Oxidation: The Water Elimination Pathway
Oliver Welz, Stephen J Klippenstein, Lawrence B Harding, et al.
The Journal of Chemical Physics
|
March 17, 2007
Interpolating moving least-squares methods for fitting potential energy surfaces: an application to the H2CN unimolecular reaction
Yin Guo, Lawrence B Harding, Albert F Wagner, et al.
The Journal of Physical Chemistry Letters
|
December 2, 2017
Time-Resolved Kinetic Chirped-Pulse Rotational Spectroscopy in a Room-Temperature Flow Reactor
Daniel P Zaleski, Lawrence B Harding, Stephen J Klippenstein, et al.
The Journal of Physical Chemistry. A
|
August 24, 2013
Rate constant and branching fraction for the NH2 + NO2 reaction
Stephen J Klippenstein, Lawrence B Harding, Peter Glarborg, et al.
The Journal of Physical Chemistry. A
|
May 16, 2015
Temperature and Pressure-Dependent Rate Coefficients for the Reaction of Vinyl Radical with Molecular Oxygen
C Franklin Goldsmith, Lawrence B Harding, Yuri Georgievskii, et al.
Journal of Chemical Theory and Computation
|
February 20, 2020
Reaction Profiles and Kinetics for Radical-Radical Hydrogen Abstraction via Multireference Coupled Cluster Theory
Chia-Hua Wu, D Brandon Magers, Lawrence B Harding, et al.
The Journal of Physical Chemistry. A
|
August 13, 2010
Theoretical validation of chemical kinetic mechanisms: combustion of methanol
Rex T Skodje, Alison S Tomlin, Stephen J Klippenstein, et al.
The Journal of Physical Chemistry. A
|
November 17, 2007
Performance of the spin-flip and multireference methods for bond breaking in hydrocarbons: a benchmark study
Anna A Golubeva, Alexandr V Nemukhin, Stephen J Klippenstein, et al.
Science (New York, N.Y.)
|
December 6, 2014
Predictive a priori pressure-dependent kinetics
Ahren W Jasper, Kenley M Pelzer, James A Miller, et al.
Page
of 4
Search research articles
Search
Showing results (21-30 of 40) with videos related to
Sort By:
Page
of 4
The Journal of Chemical Physics
|
February 25, 2012
Bi-fidelity fitting and optimization
Ryan L Miller, Lawrence B Harding, Michael J Davis, et al.
The Journal of Physical Chemistry Letters
|
August 19, 2015
Unconventional Peroxy Chemistry in Alcohol Oxidation: The Water Elimination Pathway
Oliver Welz, Stephen J Klippenstein, Lawrence B Harding, et al.
The Journal of Chemical Physics
|
March 17, 2007
Interpolating moving least-squares methods for fitting potential energy surfaces: an application to the H2CN unimolecular reaction
Yin Guo, Lawrence B Harding, Albert F Wagner, et al.
The Journal of Physical Chemistry Letters
|
December 2, 2017
Time-Resolved Kinetic Chirped-Pulse Rotational Spectroscopy in a Room-Temperature Flow Reactor
Daniel P Zaleski, Lawrence B Harding, Stephen J Klippenstein, et al.
The Journal of Physical Chemistry. A
|
August 24, 2013
Rate constant and branching fraction for the NH2 + NO2 reaction
Stephen J Klippenstein, Lawrence B Harding, Peter Glarborg, et al.
The Journal of Physical Chemistry. A
|
May 16, 2015
Temperature and Pressure-Dependent Rate Coefficients for the Reaction of Vinyl Radical with Molecular Oxygen
C Franklin Goldsmith, Lawrence B Harding, Yuri Georgievskii, et al.
Journal of Chemical Theory and Computation
|
February 20, 2020
Reaction Profiles and Kinetics for Radical-Radical Hydrogen Abstraction via Multireference Coupled Cluster Theory
Chia-Hua Wu, D Brandon Magers, Lawrence B Harding, et al.
The Journal of Physical Chemistry. A
|
August 13, 2010
Theoretical validation of chemical kinetic mechanisms: combustion of methanol
Rex T Skodje, Alison S Tomlin, Stephen J Klippenstein, et al.
The Journal of Physical Chemistry. A
|
November 17, 2007
Performance of the spin-flip and multireference methods for bond breaking in hydrocarbons: a benchmark study
Anna A Golubeva, Alexandr V Nemukhin, Stephen J Klippenstein, et al.
Science (New York, N.Y.)
|
December 6, 2014
Predictive a priori pressure-dependent kinetics
Ahren W Jasper, Kenley M Pelzer, James A Miller, et al.
Page
of 4