18 results on '"Dobbyn, Abigail J."'
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2. Chemical dynamics using wavepacket methods
3. Accurate Configuration Interaction Computations of Potential Energy Surfaces using Massively Parallel Computers
4. Theoretical study of the unimolecular dissociation HO2→H+O2. II. Calculation of resonant states, dissociation rates, and O2 product state distributions.
5. Theoretical study of the unimolecular dissociation HO2→H+O2. I. Calculation of the bound states of HO2 up to the dissociation threshold and their statistical analysis.
6. The photodissociation of FNO in the S1 state: Three-dimensional calculation on a new potential energy surface.
7. Quantum mechanical study of the unimolecular dissociation of HO2: A rigorous test of RRKM theory.
8. The unimolecular dissociation of HCO. II. Comparison of calculated resonance energies and widths with high-resolution spectroscopic data.
9. Comparison of quantum and semiclassical variational transition state models for the HO2→H+O2 microcanonical rate constant.
10. Insertion and Abstraction Pathways in the ReactionO(D21)+H2→OH+H
11. Quantum scattering on coupled ab initio potential energy surfaces for the Cl(2P)+HCl→ClH+Cl(2P) reaction
12. Coupled ab initio potential energy surfaces for the reaction Cl(2P)+HCl→ClH+Cl(2P)
13. Parallel internally contracted multireference configuration interaction
14. A comparative study of methods for describing non-adiabatic coupling: diabatic representation of the 1Sigma +/1Pi HOH and HHO conical intersections
15. Theoretical study of the unimolecular dissociation HO2→H+O2. II. Calculation of resonant states, dissociation rates, and O2product state distributions
16. Theoretical study of the unimolecular dissociation HO2→H+O2. I. Calculation of the bound states of HO2up to the dissociation threshold and their statistical analysis
17. Comparison of quantum and semiclassical variational transition state models for the HO2→H+O2microcanonical rate constant
18. Unimolecular dissociations of HCO, HNO and HO2: from regular to irregular dynamics
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