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Picosecond time-resolved IR spectroscopy and  ab initio  MD simulation revealed that a methyl group causes acceleration of water migration dynamics by a factor two through increased vibrational density of states arising from its free internal rotation.

physical chemistry chemical physics/pccp. physical chemistry chemical physics

Real-time observation of photoionization-induced water migration dynamics in 4-methylformanilide–water by picosecond time-resolved infrared spectroscopy and <i>ab initio</i> molecular dynamics simulations

Real-time observation of photoionization-induced water migration dynamics in 4-methylformanilide–water by picosecond time-resolved infrared spectroscopy and ab initio molecular dynamics simulations