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Formation and evolution of C-C, C-O, C 00000000 00000000 00000000 00000000 11111111 00000000 11111111 00000000 00000000 00000000 O and C-N bonds in chemical reactions of prebiotic interest
A series of prebiotic chemical reactions yielding the precursor building blocks of amino acids, proteins and carbohydrates, starting solely from HCN and water is studied here. We closely follow the formation and evolution ...
Microsolvation versus Encapsulation in Mono, Di, and Trivalent Cations
The effects of the formal charge in the stability and bonding of water cavities when solvating a cation are studied here using [X(H2O)20]q+ clusters starting with the well known 512 isomer of (water)20, placing a single ...
Encapsulation of Astatide by a water cage
A 512 cage of (H2O)20 consisting of 30 hydrogen bonds encapsulates Astatide with little geometrical distortion. The cage is marginally destabilized but the non-covalent interactions are actually strengthened. Host⋯cage ...