Surface Deposition Resulting from Collisions between Diglycine and Chemically Modified Alkylthiolate Self-Assembled Monolayer Surfaces

We report results from quantum mechanics/molecular mechanics (QM/MM) direct dynamics simulations of hyper-thermal collisions between N-protonated diglycine (gly2-H+) and a chemically modified (−COCl headgroup placed on the center chain) octanethiolate self-assembled monolayer (SAM) surfaces. Both fr...

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Veröffentlicht in:Journal of physical chemistry. C 2013-06, Vol.117 (25), p.13087-13093
Hauptverfasser: Geragotelis, Andrew, Barnes, George L
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Sprache:eng
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