Publications of Yuki Nagata
All genres
Journal Article (106)
81.
Journal Article
144 (20), 204705 (2016)
Surface tension of ab initio liquid water at the water-air interface. The Journal of Chemical Physics 82.
Journal Article
120 (31), pp. 17435 - 17443 (2016)
Unveiling the Amphiphilic Nature of TMAO by Vibrational Sum Frequency Generation Spectroscopy. The Journal of Physical Chemistry C 83.
Journal Article
2 (4), e1501630 (2016)
Ice-nucleating bacteria control the order and dynamics of interfacial water. Science Advances 84.
Journal Article
116 (13), pp. 7590 - 7607 (2016)
Vibrational Spectroscopy and Dynamics of Water. Chemical Reviews 85.
Journal Article
7 (22), pp. 4591 - 4595 (2016)
Both Inter- and Intramolecular Coupling of O-H Groups Determine the Vibrational Response of the Water/Air Interface. The Journal of Physical Chemistry Letters 86.
Journal Article
145 (6), 064103 (2016)
A new force field including charge directionality for TMAO in aqueous solution. The Journal of Chemical Physics 87.
Journal Article
54 (19), pp. 5560 - 5576 (2015)
Molecular Structure and Dynamics of Water at the Water-Air Interface Studied with Surface-Specific Vibrational Spectroscopy. Angewandte Chemie International Edition 88.
Journal Article
5 (11), pp. 6630 - 6633 (2015)
Role of Ion-Pairs in Bronsted Acid Catalysis. ACS Catalysis 89.
Journal Article
137 (47), pp. 14912 - 14919 (2015)
Two Types of Water at the Water-Surfactant Interface Revealed by Time-Resolved Vibrational Spectroscopy. Journal of the American Chemical Society 90.
Journal Article
17 (36), pp. 23559 - 23564 (2015)
The surface roughness, but not the water molecular orientation varies with temperature at the water-air interface. Physical Chemistry Chemical Physics 91.
Journal Article
115 (23), 236102 (2015)
Molecular Mechanism of Water Evaporation. Physical Review Letters 92.
Journal Article
5 (2), 021002 (2015)
Ultrafast Vibrational Dynamics of Water Disentangled by Reverse Nonequilibrium Ab Initio Molecular Dynamics Simulations. Physical Review X 93.
Journal Article
6 (22), pp. 4499 - 4503 (2015)
Lipid Carbonyl Groups Terminate the Hydrogen Bond Network of Membrane-Bound Water. The Journal of Physical Chemistry Letters 94.
Journal Article
143 (12), 124702 (2015)
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 95.
Journal Article
142 (21), 212419 (2015)
Low frequency 2D Raman-THz spectroscopy of ionic solution: A simulation study. The Journal of Chemical Physics 96.
Journal Article
119 (33), pp. 10597 - 10606 (2015)
Ab Initio Liquid Water Dynamics in Aqueous TMAO Solution. The Journal of Physical Chemistry B 97.
Journal Article
6, 8384 (2015)
Strong frequency dependence of vibrational relaxation in bulk and surface water reveals sub-picosecond structural heterogeneity. Nature Communications 98.
Journal Article
53 (31), pp. 8146 - 8149 (2014)
Aqueous Heterogeneity at the Air/Water Interface Revealed by 2D-HD-SFG Spectroscopy. Angewandte Chemie International Edition 99.
Journal Article
30 (6), pp. 1536 - 1543 (2014)
Electrochemically Durable Thiophene Alkanethiol Self-Assembled Monolayers. Langmuir 100.
Journal Article
26 (24), 244102 (2014)
Influence of surface polarity on water dynamics at the water/rutile TiO2(110) interface. Journal of Physics: Condensed Matter