Computational Simulations of Prebiotic Processes
In this chapter, it is shown how in silico modeling by quantum mechanical methods provides structures and energetic as well as mechanistic reaction details relevant to prebiotic chemistry. In particular, reactions of astrobiochemical interest and processes related to the polymerization of amino acids on the rocks are dealt with, in which the role of naturally occurring inorganic surfaces (icy particles and silica-based materials, respectively) as catalysts is highlighted.
KeywordsMineral Surface Reaction Energy Amino Acid Precursor Quantum Mechanical Method Double Proton Transfer
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