Accurate three–dimensional (3–D) quantum–mechanical calculations of differential and total cross sections for the H + H2 exchange reaction on the Porter and Karplus potential energy surface have been performed. These are the first such calculations which are vibrationally and rotationally converged, and the results are believed to be accurate to 5% or better. They can serve as a comparison standard against which approximate methods can be tested
We have performed accurate quantum mechanical calculations for the coplanar H + H_2 exchange reacti...
We present numerical quantum mechanical scattering calculations for the collinear H+H2 reaction on a...
Time-dependent quantum mechanical wave packet calculations have been carried out to study ...
Accurate three‐dimensional reactive and nonreactive quantum mechanical cross sections for the H+H_2 ...
The results of an accurate quantum mechanical treatment of the planar H+H_2 exchange reaction on a r...
The results of an accurate quantum mechanical treatment of the planar H+H_2 exchange reaction on a r...
Calculations of the vibrational-rotational product state population distributions and differential c...
Time-independent quantum mechanical (TIQM) approach (helicity basis truncated at k=2) has been used ...
Wu T, Werner HJ, Manthe U. Accurate potential energy surface and quantum reaction rate calculations ...
The H + H2 reaction is very important in theoretical chemical dynamics (1-4). A model that is often ...
Quantum reactive scattering calculations are reported for the four-atom reactions OH + H2(ν = 0,1) →...
A method for carring out quantum-mechanical scattering calculations (J. Chem. Phys. 86 (1987) 62 13)...
The time-dependent wave packet method was extended to calculate the state-to-state differential cros...
We have performed accurate quantum mechanical calculations for the coplanar H + H_2 exchange reacti...
We have performed accurate quantum mechanical calculations for the coplanar H + H_2 exchange reacti...
We have performed accurate quantum mechanical calculations for the coplanar H + H_2 exchange reacti...
We present numerical quantum mechanical scattering calculations for the collinear H+H2 reaction on a...
Time-dependent quantum mechanical wave packet calculations have been carried out to study ...
Accurate three‐dimensional reactive and nonreactive quantum mechanical cross sections for the H+H_2 ...
The results of an accurate quantum mechanical treatment of the planar H+H_2 exchange reaction on a r...
The results of an accurate quantum mechanical treatment of the planar H+H_2 exchange reaction on a r...
Calculations of the vibrational-rotational product state population distributions and differential c...
Time-independent quantum mechanical (TIQM) approach (helicity basis truncated at k=2) has been used ...
Wu T, Werner HJ, Manthe U. Accurate potential energy surface and quantum reaction rate calculations ...
The H + H2 reaction is very important in theoretical chemical dynamics (1-4). A model that is often ...
Quantum reactive scattering calculations are reported for the four-atom reactions OH + H2(ν = 0,1) →...
A method for carring out quantum-mechanical scattering calculations (J. Chem. Phys. 86 (1987) 62 13)...
The time-dependent wave packet method was extended to calculate the state-to-state differential cros...
We have performed accurate quantum mechanical calculations for the coplanar H + H_2 exchange reacti...
We have performed accurate quantum mechanical calculations for the coplanar H + H_2 exchange reacti...
We have performed accurate quantum mechanical calculations for the coplanar H + H_2 exchange reacti...
We present numerical quantum mechanical scattering calculations for the collinear H+H2 reaction on a...
Time-dependent quantum mechanical wave packet calculations have been carried out to study ...