Publications
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Filters: Author is Hua Guo [Clear All Filters]
Quantum Rate Coefficients and Kinetic Isotope Effect for the Reaction Cl + CH4 –> HCl + CH3 from Ring Polymer Molecular Dynamics. Journal of Physical Chemistry A. 118:1989-1996.
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2014. .
2014. Full dimensional quantum rate coefficients and kinetic isotope effects from ring polymer molecular dynamics for a seven-atom reaction OH + CH4 CH3 + H2O. J. Chem. Phys.. 138:221103.
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2013. Rate coefficients and kinetic isotope effects of the X + CH4 + HX (X = H, D, Mu) reactions from ring polymer molecular dynamics. Journal of Chemical Physics. 138
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2013. Ring Polymer Molecular Dynamics Calculations of Thermal Rate Constants for the O(3P) + CH4 OH + CH3 Reaction: Contributions of Quantum Effects. Journal of Physical Chemistry Letters. 4:48.
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2013.