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New ab initio potential energy surface for BrH2 and rate constants for the H plus HBr → H2 + Br abstraction reaction
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Search for Br* production in the D plus DBr reaction
Jianyang Zhang et al.
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Quenching of OH(A2Σ+) by H2 through Conical Intersections: Highly Excited Products in Nonreactive Channel
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Nonadiabatic quantum dynamics calculations for the N plus NH -> N-2 + H reaction
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PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
Theoretical Study of Dynamics for the Abstraction Reaction H′ plus HBr(v=0, j=0) → H′H plus Br
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JOURNAL OF PHYSICAL CHEMISTRY A (2009)
A time-dependent quantum dynamical study of the H+HBr reaction
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The effects of the rotational excitation on the Br+H2 reaction and its dependence on the potential energy surfaces
Wei-Long Quan et al.
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Quantum wave packet study of the H+HBr→H2+Br reaction
Aditya N. Panda et al.
CHEMICAL PHYSICS LETTERS (2007)
Quantum scattering calculation for Br+H2 reaction on a new ab initio potential energy surface
Wei-Long Quan et al.
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Quantum scattering calculation for reaction Br+H2 on two potential energy surfaces
Wei-Long Quan et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2007)
Nonadiabatic effects in the H+D2 reaction
Rui-Feng Lu et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Reaction products with internal energy beyond the kinematic limit result from trajectories far from the minimum energy path:: An example from H+HBr→H2+Br
AE Pomerantz et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Ab initio calculations of coupled potential energy surfaces for the Cl(P-2(3/2),P-2(1/2))+H-2 reaction
G Capecehi et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2004)
Time-dependent quantum wave packet calculation for nonadiabatic F(2P3/2, 2P1/2) + H2 reaction
Y Zhang et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Global ab initio potential energy surfaces for the lowest three doublet states (1 2A′, 2 2A′, and 1 2A) of the BrH2 system
Y Kurosaki et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Calculations of the F+HD reaction on three potential energy surfaces
TX Xie et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2003)
An investigation of the F+H2 reaction based on a full ab initio description of the open-shell character of the F(2P) atom
MH Alexander et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Quantum scattering calculations for the electronically nonadiabatic Br(2P1/2)+H2→HBr+H reaction
T Takayanagi et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Spin-orbit matrix elements for internally contracted multireference configuration interaction wavefunctions
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MOLECULAR PHYSICS (2000)