We have performed accurate quantum mechanical calculations for the coplanar H + H_2 exchange reaction, using sufficient rotational and vibrational basis functions in the close-coupling expansion to ensure convergence. We repeated these calculations with a converged rotational basis set but with only one vibrational basis function, in analogy to what Saxon and Light and Wolken and Karplus, respectively, did for the similar coplanar and three dimensional reaction. The vibrationally converged and one-vibration results differ substantially for the coplanar as well as the collinear reaction, indicating the crucial role played by virtual vibrational channels
Quantum mechanical calculations for gas phase bimolecular exchange reactions between hydrogen and br...
The H + H2 reaction is very important in theoretical chemical dynamics (1-4). A model that is often ...
A method is presented for accurately solving the Schrödinger equation for the reactive collision of ...
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...
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...
Accurate three‐dimensional reactive and nonreactive quantum mechanical cross sections for the H+H_2 ...
Accurate three–dimensional (3–D) quantum–mechanical calculations of differential and total cross sec...
We present numerical quantum mechanical scattering calculations for the collinear H+H2 reaction on a...
Cross sections have been computed for non-reactive rovibrational transitions of H(_2) and HD, induce...
A method is presented for accurately solving the Schrödinger equation for the reactive collision of ...
Natural collision coordinates and a zeroth‐order vibrational–adiabatic approximation are used to tre...
A method is presented for accurately solving the Schrödinger equation for the reactive collision of ...
Rotational and vibrational distributions for the exchange reaction H+H_(2)→H_(2)+H are obtained nume...
Quantum mechanical calculations for gas phase bimolecular exchange reactions between hydrogen and br...
The H + H2 reaction is very important in theoretical chemical dynamics (1-4). A model that is often ...
A method is presented for accurately solving the Schrödinger equation for the reactive collision of ...
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...
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...
Accurate three‐dimensional reactive and nonreactive quantum mechanical cross sections for the H+H_2 ...
Accurate three–dimensional (3–D) quantum–mechanical calculations of differential and total cross sec...
We present numerical quantum mechanical scattering calculations for the collinear H+H2 reaction on a...
Cross sections have been computed for non-reactive rovibrational transitions of H(_2) and HD, induce...
A method is presented for accurately solving the Schrödinger equation for the reactive collision of ...
Natural collision coordinates and a zeroth‐order vibrational–adiabatic approximation are used to tre...
A method is presented for accurately solving the Schrödinger equation for the reactive collision of ...
Rotational and vibrational distributions for the exchange reaction H+H_(2)→H_(2)+H are obtained nume...
Quantum mechanical calculations for gas phase bimolecular exchange reactions between hydrogen and br...
The H + H2 reaction is very important in theoretical chemical dynamics (1-4). A model that is often ...
A method is presented for accurately solving the Schrödinger equation for the reactive collision of ...