Quantum wave packet study of the H+HBr→H2+Br reaction (original) (raw)
Quantum and quasi-classical calculations for the S(+) + H2(v,j) → SH(+)(v',j') + H reactive collisions
Octavio Roncero
Physical chemistry chemical physics : PCCP, 2016
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A time-dependent wave packet quantum scattering study of the reaction HD+(v=–3;j=1)+He→HeH+(HeD+)+D(H)
Rainer Dressler
The Journal of Chemical Physics, 2007
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Differential cross section for the H+D[sub 2]→HD(v[sup ʹ]=1,j[sup ʹ]=2,6,10)+D reaction as a function of collision energy
Richard Zare
The Journal of Chemical Physics, 2007
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Rotational excitations in para-H2+para-H2 collisions: Full- and reduced-dimensional quantum wave packet studies comparing different potential energy surfaces
Fabien Gatti
The Journal of Chemical Physics, 2008
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A time-dependent wave packet quantum scattering study of the reaction HD[sup +](v=0–3;j[sub 0]=1)+He→HeH[sup +](HeD[sup +])+D(H)
Ruifeng Lu
The Journal of Chemical Physics, 2007
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Differential cross section for the H+D→HD(v'=1, j'=2,6, 10) +D reaction as a function of collision energy
Richard Zare
The Journal of Chemical Physics, 2007
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A Quantum Wave Packet Dynamics Study of the N( 2 D) + H 2 Reaction †
António Varandas
The Journal of Physical Chemistry A, 2006
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The He + H[sub 2][sup +] → HeH+ + H reaction: Ab initio studies of the potential energy surface, benchmark time-independent quantum dynamics in an extended energy range and comparison with experiments
Vincenzo Aquilanti
The Journal of Chemical Physics, 2012
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Wave packet study of the Ar–HBr photolysis: Stereodynamical effects
Alberto García-vela
The Journal of Chemical Physics, 2003
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Forward scattering in the H+D[sub 2]→HD+D reaction: Comparison between experiment and theoretical predictions
Brian Bean
The Journal of Chemical Physics, 2001
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STATE-TO-STATE QUANTUM WAVE PACKET DYNAMICS OF THE LiH + H REACTION ON TWO AB INITIO POTENTIAL ENERGY SURFACES
Niyazi Bulut, Octavio Roncero
The Astrophysical Journal, 2014
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Dynamics of the Four-Atom BO + H 2 → HBO + H Reaction: Potential Energy Surface and Reaction Selectivity from QCT Calculations
Ramón Sayós, Xavier Giménez
Journal of Physical Chemistry A, 1997
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Forward scattering in the H+D2→HD+D reaction: Comparison between experiment and theoretical predictions
Jesús Gabriel Sotillet Castillo
The Journal of Chemical Physics, 2001
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A detailed quantum mechanical and quasiclassical trajectory study on the dynamics of the H++ H2→ H2+ H+ exchange reaction
Octavio Roncero
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Reaction probabilities and reaction cross sections for three-dimensional He+H2+(v) collisions: A time-dependent quantum mechanical study
N Sathyamurthy
The Journal of Chemical Physics, 2002
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Rovibrational energy transfer in collisions of H 2 with D 2 : a full-dimensional wave packet propagation study
Hans-dieter Meyer
Molecular Physics, 2012
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Reaction cross sections for the H+ D2 (ν= 0, 1) system for collision energies up to 2.5 eV: A multiconfiguration time-dependent Hartree wave-packet propagation study
Hans-dieter Meyer
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A detailed quantum mechanical and quasiclassical trajectory study on the dynamics of the H[sup +]+H[sub 2]→H[sub 2]+H[sup +] exchange reaction
Javier Aoiz, Niyazi Bulut, Octavio Roncero
The Journal of Chemical Physics, 2006
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Nonadiabatic effects in the H+H[sub 2] exchange reaction: Accurate quantum dynamics calculations at a state-to-state level
Gabriel Balint-kurti
The Journal of Chemical Physics, 2009
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Full-dimensional quantum dynamics calculations of H2–H2 collisions
Robert Forrey
The Journal of Chemical Physics, 2011
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Quantum reaction dynamics of an asymmetric exoergic heavy–light–heavy system: Cl+HBr→HCl+Br
Oleg Tolstikhin
Physical Chemistry Chemical Physics, 1999
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Collision energy dependence of the HD(ν[sup ʹ]=2) product rotational distribution of the H+D[sub 2] reaction in the range 1.30–1.89 eV
Andrew E Pomerantz
The Journal of Chemical Physics, 2004
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Wave-packet study of the products formed in dissociative recombination ofHeH+
Åsa Larson
Physical Review A, 2005
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Quantum wave packet study of the insertion reaction S+H 2
Fahrettin Gogtas
Journal of Molecular Structure-theochem - J MOL STRUC-THEOCHEM, 2004
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Wave packet and quasiclassical trajectory calculations for the N(2D)+H2 reaction and its isotopic variants
Fahrettin Gogtas
Chemical Physics, 2007
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Photodissociation of HBr. 1. Electronic structure, photodissociation dynamics, and vector correlation coefficients
Alex Brown
The Journal of …, 2006
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Theoretical vibrational mode-specific dynamics studies for the HBr + C2H5 reaction
Cangtao Yin
Physical Chemistry Chemical Physics
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Full-dimensional potential energy surface development and dynamics for the HBr + C2H5 → Br(2P3/2) + C2H6 reaction
Cangtao Yin
Physical Chemistry Chemical Physics
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Vibration-vibration and vibration-translation energy transfer in H2-H2 collisions: A critical test of experiment with full-dimensional quantum dynamics
Robert Forrey
The Journal of Chemical Physics, 2013
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Reaction cross sections for the H+ D-2 (nu= 0, 1) system for collision energies up to 2.5 eV: A multiconfiguration time-dependent Hartree wave-packet propagation study
Hans-dieter Meyer
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Collision-energy dependence of HD(ν[sup ʹ]=1,j[sup ʹ]) product rotational distributions for the H+D[sub 2] reaction
Andrew E Pomerantz
The Journal of Chemical Physics, 2005
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Energy and angular momentum control of the specific opacity functions in the Ba+HI→BaI+H reaction
Richard Zare
The Journal of Chemical Physics, 1996
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Beyond Born-Oppenheimer theory for ab initio constructed diabatic potential energy surfaces of singlet H3+ to study reaction dynamics using coupled 3D time-dependent wave-packet approach
SAIKAT MUKHERJEE
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Excitation of thebΣu+3state ofH2by electron impact: Semiclassical exchange potentials at intermediate energies
Charles Weatherford
Physical Review A, 1980
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Dynamics of vibrationally inelastic collisions in H+−H2: comparing quantum calculations with experiments
Sanjay Kumar
Chemical Physics, 1995
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