State-to-state quantum dynamics of the H(2S) + O2(ã1Δg) → O(3P)+OH(X̃2Π) reaction on the first excited state of HO2(Ã2A′)

Global potential energy surface, vibrational spectrum, and reaction dynamics of the first excited (Ã A2′) state of HO2

(2010) Anyang Li et al.   JOURNAL OF CHEMICAL PHYSICS

State-to-state quantum dynamics of the O(P3)+OH(Π2)→H(S2)+O2(Σ3g−) reaction

(2010) Jianyi Ma et al.   JOURNAL OF CHEMICAL PHYSICS

NH(X3Σ)+H/D(S2)→H(S2)+NH/ND(X3Σ) exchange reactions: State-to-state quantum scattering and applicability of statistical model

(2009) Zheng Li et al.   JOURNAL OF CHEMICAL PHYSICS

Comparison of second-order split operator and Chebyshev propagator in wave packet based state-to-state reactive scattering calculations

(2009) Zhigang Sun et al.   JOURNAL OF CHEMICAL PHYSICS

On the statistical behavior of the O+OH→H+O[sub 2] reaction: A comparison between quasiclassical trajectory, quantum scattering, and statistical calculations

(2009) Mohamed Jorfi et al.   JOURNAL OF CHEMICAL PHYSICS

A Reactant-Coordinate-Based Time-Dependent Wave Packet Method for Triatomic State-to-State Reaction Dynamics: Application to the H + O2Reaction†

(2009) Zhigang Sun et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Effects of reactant rotational excitation on H + O2→ OH + O reaction rate constant: quantum wave packet, quasi-classical trajectory and phase space theory calculations

(2009) Shi Ying Lin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

State-to-state quantum dynamics of O + O2 isotope exchange reactions reveals nonstatistical behavior at atmospheric conditions

(2009) Z. Sun et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Mechanistic insights into the H+O2→OH+O reaction from quasi-classical trajectory studies on a new ab initio potential energy surface

(2008) György Lendvay et al.   CHEMICAL PHYSICS

Study of the H+O2 reaction by means of quantum mechanical and statistical approaches: The dynamics on two different potential energy surfaces

(2008) Pedro Bargueño et al.   JOURNAL OF CHEMICAL PHYSICS

Theoretical determination of rate constants for vibrational relaxation and reaction of OH(XΠ2,v=1) with O(P3) atoms

(2008) Jacek A. Kłos et al.   JOURNAL OF CHEMICAL PHYSICS

Fully Coriolis-Coupled Quantum Studies of the H + O2(υi= 0−2,ji= 0,1) → OH + O Reaction on an Accurate Potential Energy Surface:  Integral Cross Sections and Rate Constants

(2008) Shi Ying Lin et al.   JOURNAL OF PHYSICAL CHEMISTRY A

State-to-State Dynamics of H + O2Reaction, Evidence for Nonstatistical Behavior

(2008) Zhigang Sun et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY