Publications of Yuki Nagata
All genres
Journal Article (95)
81.
Journal Article
5 (2), 021002 (2015)
Ultrafast Vibrational Dynamics of Water Disentangled by Reverse Nonequilibrium Ab Initio Molecular Dynamics Simulations. Physical Review X 82.
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 83.
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 84.
Journal Article
142 (21), 212419 (2015)
Low frequency 2D Raman-THz spectroscopy of ionic solution: A simulation study. The Journal of Chemical Physics 85.
Journal Article
119 (33), pp. 10597 - 10606 (2015)
Ab Initio Liquid Water Dynamics in Aqueous TMAO Solution. The Journal of Physical Chemistry B 86.
Journal Article
6, 8384 (2015)
Strong frequency dependence of vibrational relaxation in bulk and surface water reveals sub-picosecond structural heterogeneity. Nature Communications 87.
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 88.
Journal Article
30 (6), pp. 1536 - 1543 (2014)
Electrochemically Durable Thiophene Alkanethiol Self-Assembled Monolayers. Langmuir 89.
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 90.
Journal Article
5 (21), pp. 3737 - 3741 (2014)
Quantifying Surfactant Alkyl Chain Orientation and Conformational Order from Sum Frequency Generation Spectra of CH Modes at the Surfactant-Water Interface. The Journal of Physical Chemistry Letters 91.
Journal Article
110 (47), pp. 18780 - 18785 (2013)
Mechanism of vibrational energy dissipation of free OH groups at the air-water interface. Proceedings of the National Academy of Sciences of the United States of America 92.
Journal Article
4 (11), pp. 1872 - 1877 (2013)
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 93.
Journal Article
9 (2), pp. 1193 - 1201 (2013)
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 94.
Journal Article
14 (12), pp. 4259 - 4270 (2012)
Molecular origin of differences in hole and electron mobility in amorphous Alq(3)-a multiscale simulation study. Physical Chemistry Chemical Physics 95.
Journal Article
109 (22), 226101 (2012)
Nuclear Quantum Effects Affect Bond Orientation of Water at the Water-Vapor Interface. Physical Review Letters Book Chapter (1)
96.
Book Chapter
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)
Meeting Abstract (2)
97.
Meeting Abstract
258, 92-PHYS. Fall National Meeting and Exposition of the American-Chemical-Society (ACS), San Diego, CA, August 25, 2019 - August 29, 2019. (2019)
Hydrophobic vs. hydrophilic interactions of TMAO and urea. In Abstracts of Papers of the American Chemical Society, 98.
Meeting Abstract
258, 533-PHYS. Fall National Meeting and Exposition of the American-Chemical-Society (ACS), San Diego, CA, August 25, 2019 - August 29, 2019. (2019)
Orientational distribution of the free O-H group at the water-air interface. In Abstracts of Papers of the American Chemical Society, Book Review (1)
99.
Book Review
123 (9), p. 099602 (2019)
Sun et al. Reply. Physical Review Letters Editorial (1)
100.
Editorial
8 (10), pp. 1380 - 1382 (2022)
Biomolecular Chirality Is Imprinted on One Layer of Hydration Water. ACS Central Science