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• W2082804905 startingPage "7543" @default.
• W2082804905 abstract "Results are reported for a direct dynamics simulation of NH(4)(+) + CH(4) gas phase collisions. We interpret the results with protonated peptide/hydrogenated alkanethiolate self-assembled monolayer (H-SAM) surface collisions in mind. Previous theoretical studies of such systems have made use of nonreactive surfaces, and therefore, our goal is to investigate the types and likelihood of peptide/H-SAM reactions. In that vein, the NH(4)(+) + CH(4) reaction represents a simple gas phase system which includes many of the important interactions present in protonated peptide/H-SAM surfaces. Thirty-seven open pathways are seen in the 5-35 eV collision energy range. An energy dependence on the likelihood of forming CN bonds is found. This type of bonding could deposit both the peptide and its molecular fragments on the H-SAM surface. For our gas phase collision system, around 50% of the trajectories result in the formation of CN bonds. For all collision energies in which reactive scattering occurs, CN bond formation is an important reaction pathway." @default.
• W2082804905 created "2016-06-24" @default.
• W2082804905 creator A5069124714 @default.
• W2082804905 creator A5087807293 @default.
• W2082804905 date "2009-04-09" @default.
• W2082804905 modified "2023-09-24" @default.
• W2082804905 title "NH₄⁺ + CH₄ Gas Phase Collisions as a Possible Analogue to Protonated Peptide/Surface Induced Dissociation" @default.
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• W2082804905 doi "https://doi.org/10.1021/jp900919s" @default.
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