Schwenke, David W.
Most widely held works by David W Schwenke
Chemical calculations on Cray computers by Peter R Taylor ( Book )
1 edition published in 1989 in English and held by 62 libraries worldwide
Calculation of rate constants for the three-body recombination of H₂ in the presence of H₂ by David W Schwenke ( Book )
1 edition published in 1988 in English and held by 61 libraries worldwide
State-Selected Chemical Reaction Dynamics at the S Matrix Level: Final- State Specificities of Near-Threshold Processes at Low and High Energies ( Book )
1 edition published in 1992 in English and held by 1 library worldwide
State-to-state reaction probabilities are found to be highly final- state specific at state-selected threshold energies for the reactions 0 + H2 -OH + H and H + H2 - H2 + H. The study includes initial rotational states with quantum numbers 0-15, and the specificity is especially dramatic for the more highly rotationally excited reactants. The analysis is based on accurate quantum mechanical reactive scattering calculations. Final-state specificity is shown in general to increase with the rotational quantum number of the reactant diatom, and the trends are confirmed for both zero and nonzero values of the total angular momentum.
Benchmark Calculations of Thermal Reaction Rates. 1. Quantal Scattering Theory ( Book )
1 edition published in 1991 in English and held by 1 library worldwide
The thermal rate coefficient for the prototype reaction H + H sub 2, - H sub 2, + H with zero total angular momentum is calculated by summing, averaging, and numerically integrating state-to-state reaction probabilities calculated by time-independent quantum-mechanical scattering theory. The results are very carefully converged with respect to all numerical parameters in order to provide high-precision benchmark results for confirming the accuracy of new methods and testing their efficiency.
The rate parameters for coupled rotation-vibration-dissociation phenomenon in H by Surendra Prasad Sharma ( Book )
1 edition published in 1989 in English and held by 1 library worldwide