NMR solvent shifts of adenine in aqueous solution from hybrid QM/MM molecular dynamics simulations

Komin, SGossens, CRothlisberger, USebastiani, D2007-10-302007-10-302007-10-30200710.1021/jp067263lhttps://infoscience.epfl.ch/handle/20.500.14299/14268NMR solvent shifts of adenine in aqueous solution from hybrid QM/MM molecular dynamics simulationstext::journal::journal article::research article