https://www.selleckchem.com/products/eht-1864.html
15 kcal/mol, (Do = 3.08 kcal/mol) and r[Oc⋯Ow] = 2.973 Å, and De = 2.64 kcal/mol (Do = 1.68 kcal/mol) with r[Oc⋯Ow] = 2.828 Å for D3h O3(H2O)2. The results from ab initio molecular dynamics simulations, which consider dynamic and thermal effects in O3(H2O), show that the O3(H2O) complex remains stable at 50 K and dynamically interconverts between two hydrogen-bonded conformers with short Oc⋯Ow contacts (3.85 Å). Carr-Parrinello molecular dynamic (CPMD) simulations for O3(H2O) and O3(H2O)2 at 100 K demonstrate that O3(H2O)2 remains stru
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