Six-dimensional and seven-dimensional quantum dynamics study of the OH + CH4 → H2O + CH3 reaction

Quantum instanton calculation of rate constant for CH4 + OH → CH3 + H2O reaction: Torsional anharmonicity and kinetic isotope effect

(2012) Wenji Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Reactivity Between Non-Energetic Hydroxyl (OH) Radicals and Methane (CH4)

(2012) Emilie-Laure Zins et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical Study of the Validity of the Polanyi Rules for the Late-Barrier Cl + CHD3 Reaction

(2012) Zhaojun Zhang et al.   Journal of Physical Chemistry Letters

Mode Selectivity for a “Central” Barrier Reaction: Eight-Dimensional Quantum Studies of the O(3P) + CH4 → OH + CH3 Reaction on an Ab Initio Potential Energy Surface

(2012) Rui Liu et al.   Journal of Physical Chemistry Letters

Dynamics of the O(3P) + CHD3(vCH = 0,1) reactions on an accurate ab initio potential energy surface

(2012) G. Czako et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Dynamics of the Reaction of Methane with Chlorine Atom on an Accurate Potential Energy Surface

(2011) G. Czako et al.   SCIENCE

Full-Dimensional Quantum Reaction Rate Calculations for H + CH4→ H2+ CH3on a Recent Potential Energy Surface†

(2010) Gerd Schiffel et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Depression of reactivity by the collision energy in the single barrier H + CD4 -> HD + CD3 reaction

(2010) W. Zhang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Enlarging the reactive cone of acceptance by exciting the C–H bond in the O(3P) + CHD3 reaction

(2010) Fengyan Wang et al.   Chemical Science

Accurate ab initio potential energy surface, dynamics, and thermochemistry of the F+CH4→HF+CH3 reaction

(2009) Gábor Czakó et al.   JOURNAL OF CHEMICAL PHYSICS

CH Stretching Excitation Steers the F Atom to the CD Bond in the F + CHD3Reaction

(2009) Gábor Czakó et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

CH Stretching Excitation in the Early Barrier F + CHD3 Reaction Inhibits CH Bond Cleavage

(2009) W. Zhang et al.   SCIENCE

Full dimensional time-dependent quantum dynamics study of the H+NH3→H2+NH2 reaction

(2008) Minghui Yang   JOURNAL OF CHEMICAL PHYSICS