The effect of hydrogen bonding on the nonadiabatic dynamics of a thymine-water cluster
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DOI: 10.1016/j.chemphys.2018.07.050
Abstract: Abstract Surface hopping photodynamics simulations have been performed on a cluster of thymine interacting with six water molecules (T(H2O)6). The second-order algebraic diagrammatic construction method (ADC(2)) has been used for calculating the required electronic energies… read more here.
Keywords: hydrogen; water; effect hydrogen; bonding nonadiabatic ... See more keywords