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Comparison of second-order split operator and Chebyshev propagator in wave packet based state-to-state reactive scattering calculations
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On the statistical behavior of the O plus OH→H+O2 reaction: A comparison between quasiclassical trajectory, quantum scattering, and statistical calculations
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A Reactant-Coordinate-Based Time-Dependent Wave Packet Method for Triatomic State-to-State Reaction Dynamics: Application to the H + O2 Reaction
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Effects of reactant rotational excitation on H + O-2 -> OH plus O reaction rate constant: quantum wave packet, quasi-classical trajectory and phase space theory calculations
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PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)
Mechanistic insights into the H+O2 → OH+O reaction from quasi-classical trajectory studies on a new ab initio potential energy surface
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Study of the H+O2 reaction by means of quantum mechanical and statistical approaches:: The dynamics on two different potential energy surfaces
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Theoretical determination of rate constants for vibrational relaxation and reaction of OH(X 2Π, v=1) with O(3P) atoms
Jacek A. Klos et al.
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Fully Coriolis-coupled quantum studies of the H+O2 (vi=0-2, ji=0,1) → OH+O reaction on an accurate potential energy surface:: Integral cross sections and rate constants
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State-to-State Dynamics of H + O2 Reaction, Evidence for Nonstatistical Behavior
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State-to-state reaction probabilities for the H+O2(v,j)→O+OH(v',j') reaction on three potential energy surfaces
Marlies Hankel et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Differential and integral cross sections for the H+O2→OH+O combustion reaction
Pascal Honvault et al.
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Time dependent wave packet and statistical calculations on the H+O2 reaction
Pedro Bargueno et al.
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Coordinate transformation methods to calculate state-to-state reaction probabilities with wave packet treatments
Susana Gomez-Carrasco et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Quantum state-to-state cross sections for atom-diatom reactions: A Chebyshev real wave-packet approach
Shi Ying Lin et al.
PHYSICAL REVIEW A (2006)
A new ab initio potential-energy surface of HO2(X2A) and quantum studies of HO2 vibrational spectrum and rate constants for the H+O2⇆O+OH reactions -: art. no. 244305
CX Xu et al.
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A wave packet based statistical approach to complex-forming reactions
SY Lin et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Quantum scattering calculations of the H+O2→O+OH reaction
RA Sultanov et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
A rigorous test of the statistical model for atom-diatom insertion reactions
EJ Rackham et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Refined potential-energy surfaces for the (X)over-tilde2A and (A)over-tilde2A' electronic states of the HO2 molecule
P Jensen et al.
CANADIAN JOURNAL OF PHYSICS (2001)
Theoretical studies of the HO+O↔HO2↔H+O2 reaction.: II.: Classical trajectory calculations on an ab initio potential for temperatures between 300 and 5000 K
J Troe et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Coupled-channel statistical theory of the N(2D)+H2 and O(1D)+H2 insertion reactions
EJ Rackham et al.
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Dynamics of the H+O2 → O+OHchain-branching reaction:: Accurate quantum mechanical and experimental absolute reaction cross sections
M Abu Bajeh et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2001)
Statistical rate theory for the HO+O↔HO2↔H+O2 reaction system:: SACM/CT calculations between 0 and 5000 K
LB Harding et al.
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