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Showing 1 to 2 of 2 for “"direct dynamics trajectory simulations"”.
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Potential energy function development and dynamics of energy transfer and fragmentation for collisions of protonated peptide ions with organic surfaces
… has been used to prepare microarrays. Chemical dynamics simulations give near quantitative energy transfer probabilities for projectile ion collisions with surfaces as compared to experimental results, and there is substantial interest to extend this work to soft-landing. However, to model these …
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Singlet Oxygen Oxidation of Guanine, 9-Methylguanine and Guanine-Cytosine Base Pair: Dynamics and Kinetics Revealed by Parallel Gas- and Solution-Phase Experiments and Computations
… research has focused on reaction mechanism, dynamics and kinetics of <sup>1</sup>O<sub>2</sub> oxidation of guanine, 9-methylguanine and guanine-cytosine base pair, from the gas-phase bare ions, through hydrated clusters, to aqueous solution. Various techniques have been adapted in the work, …