Publikationen von Yuki Nagata

Zeitschriftenartikel (87)

61.
Zeitschriftenartikel
Nagata, Y.; Ohto, T.; Backus, E. H. G.; Bonn, M.: Molecular Modeling of Water Interfaces: From Molecular Spectroscopy to Thermodynamics. The Journal of Physical Chemistry B 120 (16), S. 3785 - 3796 (2016)
62.
Zeitschriftenartikel
Nagata, Y.; Ohto, T.; Bonn, M.; Kühne, T. D.: Surface tension of ab initio liquid water at the water-air interface. The Journal of Chemical Physics 144 (20), 204705 (2016)
63.
Zeitschriftenartikel
Ohto, T.; Backus, E. H. G.; Mizukami, W.; Hunger, J.; Bonn, M.; Nagata, Y.: Unveiling the Amphiphilic Nature of TMAO by Vibrational Sum Frequency Generation Spectroscopy. The Journal of Physical Chemistry C 120 (31), S. 17435 - 17443 (2016)
64.
Zeitschriftenartikel
Pandey, R.; Usui, K.; Livingstone, R. A.; Fischer, S. A.; Pfaendtner, J.; Backus, E. H. G.; Nagata, Y.; Fröhlich-Nowoisky, J.; Schmüser, L.; Mauri, S. et al.; Scheel, J. F.; Knopf, D. A.; Pöschl, U.; Bonn, M.; Weidner, T.: Ice-nucleating bacteria control the order and dynamics of interfacial water. Science Advances 2 (4), e1501630 (2016)
65.
Zeitschriftenartikel
Perakis, F.; De Marco, L.; Shalit, A.; Tang, F. J.; Kann, Z. R.; Kühne, T. D.; Torre, R.; Bonn, M.; Nagata, Y.: Vibrational Spectroscopy and Dynamics of Water. Chemical Reviews 116 (13), S. 7590 - 7607 (2016)
66.
Zeitschriftenartikel
Schaefer, J.; Backus, E. H. G.; Nagata, Y.; Bonn, M.: Both Inter- and Intramolecular Coupling of O-H Groups Determine the Vibrational Response of the Water/Air Interface. The Journal of Physical Chemistry Letters 7 (22), S. 4591 - 4595 (2016)
67.
Zeitschriftenartikel
Usui, K.; Nagata, Y.; Hunger, J.; Bonn, M.; Sulpizi, M.: A new force field including charge directionality for TMAO in aqueous solution. The Journal of Chemical Physics 145 (6), 064103 (2016)
68.
Zeitschriftenartikel
Bonn, M.; Nagata, Y.; Backus, E. H. G.: Molecular Structure and Dynamics of Water at the Water-Air Interface Studied with Surface-Specific Vibrational Spectroscopy. Angewandte Chemie International Edition 54 (19), S. 5560 - 5576 (2015)
69.
Zeitschriftenartikel
Kim, H.; Sugiono, E.; Nagata, Y.; Wagner, M.; Bonn, M.; Rueping, M.; Hunger, J.: Role of Ion-Pairs in Bronsted Acid Catalysis. ACS Catalysis 5 (11), S. 6630 - 6633 (2015)
70.
Zeitschriftenartikel
Livingstone, R. A.; Nagata, Y.; Bonn, M.; Backus, E. H. G.: Two Types of Water at the Water-Surfactant Interface Revealed by Time-Resolved Vibrational Spectroscopy. Journal of the American Chemical Society 137 (47), S. 14912 - 14919 (2015)
71.
Zeitschriftenartikel
Nagata, Y.; Hasegawa, T.; Backus, E. H. G.; Usui, K.; Yoshimune, S.; Ohto, T.; Bonn, M.: The surface roughness, but not the water molecular orientation varies with temperature at the water-air interface. Physical Chemistry Chemical Physics 17 (36), S. 23559 - 23564 (2015)
72.
Zeitschriftenartikel
Nagata, Y.; Usui, K.; Bonn, M.: Molecular Mechanism of Water Evaporation. Physical Review Letters 115 (23), 236102 (2015)
73.
Zeitschriftenartikel
Nagata, Y.; Yoshimune, S.; Hsieh, C.-S.; Hunger, J.; Bonn, M.: Ultrafast Vibrational Dynamics of Water Disentangled by Reverse Nonequilibrium Ab Initio Molecular Dynamics Simulations. Physical Review X 5 (2), 021002 (2015)
74.
Zeitschriftenartikel
Ohto, T.; Backus, E. H. G.; Hsieh, C.-S.; Sulpizi, M.; Bonn, M.; Nagata, Y.: Lipid Carbonyl Groups Terminate the Hydrogen Bond Network of Membrane-Bound Water. The Journal of Physical Chemistry Letters 6 (22), S. 4499 - 4503 (2015)
75.
Zeitschriftenartikel
Ohto, T.; Usui, K.; Hasegawa, T.; Bonn, M.; Nagata, Y.: Toward ab initio molecular dynamics modeling for sum-frequency generation spectra; an efficient algorithm based on surface-specific velocity-velocity correlation function. The Journal of Chemical Physics 143 (12), 124702 (2015)
76.
Zeitschriftenartikel
Pan, Z. J.; Wu, T. M.; Jin, T.; Liu, Y.; Nagata, Y.; Zhang, R. T.; Zhuang, W.: Low frequency 2D Raman-THz spectroscopy of ionic solution: A simulation study. The Journal of Chemical Physics 142 (21), 212419 (2015)
77.
Zeitschriftenartikel
Usui, K.; Hunger, J.; Sulpizi, M.; Ohto, T.; Bonn, M.; Nagata, Y.: Ab Initio Liquid Water Dynamics in Aqueous TMAO Solution. The Journal of Physical Chemistry B 119 (33), S. 10597 - 10606 (2015)
78.
Zeitschriftenartikel
van der Post, S. T.; Hsieh, C.-S.; Okuno, M.; Nagata, Y.; Bakker, H. J.; Bonn, M.; Hunger, J.: Strong frequency dependence of vibrational relaxation in bulk and surface water reveals sub-picosecond structural heterogeneity. Nature Communications 6, 8384 (2015)
79.
Zeitschriftenartikel
Hsieh, C.-S.; Okuno, M.; Hunger, J.; Backus, E. H. G.; Nagata, Y.; Bonn, M.: Aqueous Heterogeneity at the Air/Water Interface Revealed by 2D-HD-SFG Spectroscopy. Angewandte Chemie International Edition 53 (31), S. 8146 - 8149 (2014)
80.
Zeitschriftenartikel
Ikeda, T.; Nagata, Y.; Zheng, Y.; Liu, D.; Butt, H.-J.; Shimoda, M.: Electrochemically Durable Thiophene Alkanethiol Self-Assembled Monolayers. Langmuir 30 (6), S. 1536 - 1543 (2014)
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