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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On the features of statistical behaviour of the O(3P)+HCl(v = 2, j = 1,6,9)→OH+Cl reaction

P. Bargueno et al.

EUROPEAN PHYSICAL JOURNAL D (2008)

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A comparative study of the Si+O2→SiO+O reaction dynamics from quasiclassical trajectory and statistical based methods

Fabrice Dayou et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

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Accurate quantum mechanical calculations of differential and integral cross sections and rate constant for the O+OH reaction using an ab initio potential energy surface

Shi Ying Lin et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

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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

Shi Ying Lin et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2008)

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Coriolis coupling effects on the initial-state-resolved dynamics of the N(2D)+H2→NH+H reaction

Paolo Defazio et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

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Stringent test of the statistical quasiclassical trajectory model for the H3+ exchange reaction:: A comparison with rigorous statistical quantum mechanical results

F. J. Aoiz et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

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Mean potential phase space theory of chemical reactions

P. Larregaray et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

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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)

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Rate constant for OH(2Π)+O(3P)→H(2S)+O2(3Σg-) reaction on an improved ab initio potential energy surface and implications for the interstellar oxygen problem

Chuanxiu Xu et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

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Differential and integral cross sections for the H+O2→OH+O combustion reaction

Pascal Honvault et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2007)

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Differential and integral cross sections of the N(2D)+H2→NH+H reaction from exact quantum and quasi-classical trajectory calculations

Shi Ying Lin et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2007)

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On the theory of complex-forming chemical reactions:: effect of parity conservation on the polarization of differential cross sections

L. Bonnet et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)

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Time dependent wave packet and statistical calculations on the H+O2 reaction

Pedro Bargueno et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)

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Quantum dynamics of the H+O2 → O+OHreaction on an accurate Ab initio potential energy surface

Shi Ying Lin et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2006)

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A detailed quantum mechanical and quasiclassical trajectory study on the dynamics of the H++H2→H2+H+ exchange reaction

Tomas Gonzalez-Lezana et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

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Revelation of non-statistical behavior in HO2 vibration by a new ab initio potential energy surface

Shi Ying Lin et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

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Accurate rate constant and quantum effects for N(2D)+H2 reaction

AJC Varandas et al.

CHEMICAL PHYSICS LETTERS (2006)

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A quantum wave packet dynamics study of the N(2D)+H2 reaction

TS Chu et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2006)

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Validity of phase space theory for atom-diatom insertion reactions

P Larrégaray et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2006)

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Quantum mechanical rate constants for H+O2 ⇆ O+OH and H+O2 → HO2 reactions

SY Lin et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2006)

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Quantum approaches for the insertion dynamics of the H++D2 and D++H2 reactive collisions -: art. no. 194309

T González-Lezana et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

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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.

JOURNAL OF CHEMICAL PHYSICS (2005)

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Nonadiabatic time-dependent wave packet study of the D++H2 reaction system

TS Chu et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2005)

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Quantum and quasiclassical studies of the O(P-3)+HCl -> OH+Cl(P-2) reaction using benchmark potential surfaces

T Xie et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

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Quantum wave packet studies of the C(1D)+H2→CH+H reaction:: Integral cross section and rate constant

SY Lin et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2004)

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Quantum reactive scattering with a transmission-free absorbing potential

T Gonzalez-Lezana et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

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Case study of a prototypical elementary insertion reaction:: C(1D)+H2→CH+H

SY Lin et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2004)

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A rigorous test of the statistical model for atom-diatom insertion reactions

EJ Rackham et al.

JOURNAL OF CHEMICAL PHYSICS (2003)

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Calculation of bound and resonance states of HO2 for nonzero total angular momentum

H Zhang et al.

JOURNAL OF CHEMICAL PHYSICS (2003)

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On product state distributions in triatomic unimolecular reactions - Part II. Processes governed by non-linear bending forces

P Larregaray et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2002)

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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)

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Coupled-channel statistical theory of the N(2D)+H2 and O(1D)+H2 insertion reactions

EJ Rackham et al.

CHEMICAL PHYSICS LETTERS (2001)

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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)

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Coriolis-coupled quantum dynamics for 0(1D)+H2→OH+H

TE Carroll et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2001)

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Quantum mechanical calculation of reaction probabilities and branching ratios for the O(1D)+HD → OH(OD) plus D(H) reaction on the (X)over-tilde1A′ and 11A adiabatic potential energy surfaces

M Hankel et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2001)

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On product state distributions in triatomic unimolecular reactions: Beyond phase space theory and the adiabatic assumption

P Larregaray et al.

JOURNAL OF CHEMICAL PHYSICS (2001)

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