Publications of Yuki Nagata

Nagata, Y.; Hsieh, C.-S.; Hasegawa, T.; Voll, J.; Backus, E. H. G.; Bonn, M.: Water Bending Mode at the Water-Vapor Interface Probed by Sum-Frequency Generation Spectroscopy: A Combined Molecular Dynamics Simulation and Experimental Study. The Journal of Physical Chemistry Letters 4 (11), pp. 1872 - 1877 (2013)

Nakamura, H.; Ohto, T.; Nagata, Y.: Polarizable Site Charge Model at Liquid/Solid Interfaces for Describing Surface Polarity: Application to Structure and Molecular Dynamics of Water/Rutile TiO2(110) Interface. Journal of Chemical Theory and Computation 9 (2), pp. 1193 - 1201 (2013)

Fuchs, A.; Steinbrecher, T.; Mommer, M. S.; Nagata, Y.; Elstner, M.; Lennartz, C.: Molecular origin of differences in hole and electron mobility in amorphous Alq(3)-a multiscale simulation study. Physical Chemistry Chemical Physics 14 (12), pp. 4259 - 4270 (2012)

Nagata, Y.; Pool, R. E.; Backus, E. H. G.; Bonn, M.: Nuclear Quantum Effects Affect Bond Orientation of Water at the Water-Vapor Interface. Physical Review Letters 109 (22), 226101 (2012)

Nagata, Y.; Backus, E. H. G.; Bonn, M.: Dynamics of Water Molecules at the Water/Air Interface. In: Encyclopedia of Interfacial Chemistry: Surface Science and Electrochemistry, pp. 348 - 355 (Ed. Wandelt, K.). Elsevier, Amsterdam (2018)

Nagata, Y.: Hydrophobic vs. hydrophilic interactions of TMAO and urea. In Abstracts of Papers of the American Chemical Society, 258, 92-PHYS. Fall National Meeting and Exposition of the American-Chemical-Society (ACS), San Diego, CA, August 25, 2019 - August 29, 2019. (2019)

Sun, S.; Tang, F.; Imoto, S.; Moberg, D.; Ohto, T.; Paesani, F.; Bonn, M.; Backus, E. H. G.; Nagata, Y.: Orientational distribution of the free O-H group at the water-air interface. In Abstracts of Papers of the American Chemical Society, 258, 533-PHYS. Fall National Meeting and Exposition of the American-Chemical-Society (ACS), San Diego, CA, August 25, 2019 - August 29, 2019. (2019)

Sun, S.; Tang, F.; Imoto, S.; Moberg, D. R.; Ohto, T.; Paesani, F.; Bonn, M.; Backus, E. H. G.; Nagata, Y.: Sun et al. Reply. Physical Review Letters 123 (9), p. 099602 (2019)

Gonella, G.; Backus, E. H. G.; Nagata, Y.; Bonthuis, D. J.; Loche, P.; Schlaich, A.; Netz, R. R.; Kühnle, A.; McCrum, I. T.; Koper, M. T. M. et al.; Wolf, M.; Winter, B.; Meijer, G.; Campen, R. K.; Bonn, M.: Water at charged interfaces. (2021)