Publikationen von Yuki Nagata
Alle Typen
Zeitschriftenartikel (79)
21.
Zeitschriftenartikel
150 (24), 244701 (2019)
Vibrational spectra of dissociatively adsorbed D2O on Al-terminated α-Al2O3(0001) surfaces from ab initio molecular dynamics. The Journal of Chemical Physics 22.
Zeitschriftenartikel
58 (1), S. 332 - 337 (2019)
Specific Ion Effects on an Oligopeptide: Bidentate binding matters for the Guanidinium Cation. Angewandte Chemie International Edition 23.
Zeitschriftenartikel
131 (1), S. 338 - 343 (2019)
Spezifische Ionen‐Effekte am Beispiel eines Oligopeptids: die Rolle zweizähniger Koordination beim Guanidinium‐Kation. Angewandte Chemie 24.
Zeitschriftenartikel
15 (6), S. 3836 - 3843 (2019)
Structure and Dynamics of Water at the Water-Air Interface Using First-Principles Molecular Dynamics Simulations. II. NonLocal vs Empirical van der Waals Corrections. Journal of Chemical Theory and Computation 25.
Zeitschriftenartikel
3 (9), 1900045 (2019)
Damage-Free Solar Dewatering of Micro-Algal Concentrates via Multifunctional Hierarchical Porous Graphene. Advanced Sustainable Systems 26.
Zeitschriftenartikel
6 (10), 1900119 (2019)
Chemical Dopants on Edge of Holey Graphene Accelerate Electrochemical Hydrogen Evolution Reaction. Advanced Science 27.
Zeitschriftenartikel
52 (4), S. 1006 - 1015 (2019)
The Surface of Ice under Equilibrium and Nonequilibrium Conditions. Accounts of Chemical Research 28.
Zeitschriftenartikel
15 (1), S. 595 - 602 (2019)
Structure and Dynamics of Water at the Water-Air Interface Using First-Principles Molecular Dynamics Simulations within Generalized Gradient Approximation. Journal of Chemical Theory and Computation 29.
Zeitschriftenartikel
4 (11), S. 2615 - 2627 (2018)
Large Hydrogen-Bond Mismatch between TMAO and Urea Promotes Their Hydrophobic Association. Chem 30.
Zeitschriftenartikel
122 (9), S. 2401 - 2410 (2018)
Time-Resolved Sum Frequency Generation Spectroscopy: A Quantitative Comparison Between Intensity and Phase-Resolved Spectroscopy. The Journal of Physical Chemistry A 31.
Zeitschriftenartikel
122 (14), S. 3667 - 3679 (2018)
Structure from Dynamics: Vibrational Dynamics of Interfacial Water as a Probe of Aqueous Heterogeneity. The Journal of Physical Chemistry B 32.
Zeitschriftenartikel
4 (3), eaap7415 (2018)
Saturation of charge-induced water alignment at model membrane surfaces. Science Advances 33.
Zeitschriftenartikel
9, 885 (2018)
Coupling between intra- and intermolecular motions in liquid water revealed by two-dimensional terahertz-infrared-visible spectroscopy. Nature Communications 34.
Zeitschriftenartikel
3 (7), S. 1539 - 1544 (2018)
Graphene Layer Encapsulation of Non-Noble Metal Nanoparticles as Acid-Stable Hydrogen Evolution Catalysts. ACS Energy Letters 35.
Zeitschriftenartikel
8 (4), S. 3579 - 3586 (2018)
Cooperation between holey graphene and NiMo alloy for hydrogen evolution in an acidic electrolyte. ACS Catalysis 36.
Zeitschriftenartikel
149 (1), 014707 (2018)
Vibrational spectroscopy of hydroxylated alpha-Al2O3(0001) surfaces with and without water: An ab initio molecular dynamics study. The Journal of Chemical Physics 37.
Zeitschriftenartikel
4 (7), S. 1484 - 1485 (2018)
Electrical Double Layer Probed by Surface-Specific Vibrational Technique. Chem 38.
Zeitschriftenartikel
20 (18), S. 12979 - 12985 (2018)
Structure and dynamics of water at water-graphene and water-hexagonal boron-nitride sheet interfaces revealed by ab initio sum-frequency generation spectroscopy. Physical Chemistry Chemical Physics 39.
Zeitschriftenartikel
121 (24), 246101 (2018)
Orientational Distribution of Free O-H Groups of Interfacial Water is Exponential. Physical Review Letters 40.
Zeitschriftenartikel
14 (1), S. 357 - 364 (2018)
Definition of Free O-H Groups of Water at the Air-Water Interface. Journal of Chemical Theory and Computation