135 citations · 199 across the 6 of their papers we have counts for
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physics.chem-ph2016★ 135 cited
Both Inter- and Intramolecular Coupling of O-H Groups Determine the Vibrational Response of the Water/Air Interface
Jan Schaefer, Ellen H. G. Backus, Yuki Nagata +1
Vibrational coupling is relevant not only for dissipation of excess energy after chemical reactions but also for elucidating molecular structure and dynamics. It is particularly im…
physics.chem-ph2016★ 56 cited
Surface Tension of Ab Initio Liquid Water at the Water-Air Interface
Yuki Nagata, Tatsuhiko Ohto, Mischa Bonn +1
We report calculations of the surface tension of the water-air interface using ab initio molecular dynamics (AIMD) simulations. We investigate the simulation cell size dependence o…