Publications of Yuki Nagata
All genres
Journal Article (104)
41.
Journal Article
11 (1), 5977 (2020)
Vibrational couplings and energy transfer pathways of water's bending mode. Nature Communications 42.
Journal Article
22 (22), pp. 12785 - 12793 (2020)
Vibrational mode frequency correction of liquid water in density functional theory molecular dynamics simulations with van der Waals correction. Physical Chemistry Chemical Physics 43.
Journal Article
10 (1), pp. 792 - 799 (2019)
Effect of Graphene Encapsulation of NiMo Alloys on Oxygen Evolution Reaction. ACS Catalysis 44.
Journal Article
10 (21), pp. 6936 - 6941 (2019)
Unveiling Heterogeneity of Interfacial Water through the Water Bending Mode. The Journal of Physical Chemistry Letters 45.
Journal Article
10 (17), pp. 4914 - 4919 (2019)
Accessing the Accuracy of Density Functional Theory through Structure and Dynamics of the Water–Air Interface. The Journal of Physical Chemistry Letters 46.
Journal Article
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 47.
Journal Article
58 (1), pp. 332 - 337 (2019)
Specific Ion Effects on an Oligopeptide: Bidentate binding matters for the Guanidinium Cation. Angewandte Chemie International Edition 48.
Journal Article
131 (1), pp. 338 - 343 (2019)
Spezifische Ionen‐Effekte am Beispiel eines Oligopeptids: die Rolle zweizähniger Koordination beim Guanidinium‐Kation. Angewandte Chemie 49.
Journal Article
15 (6), pp. 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 50.
Journal Article
3 (9), 1900045 (2019)
Damage-Free Solar Dewatering of Micro-Algal Concentrates via Multifunctional Hierarchical Porous Graphene. Advanced Sustainable Systems 51.
Journal Article
6 (10), 1900119 (2019)
Chemical Dopants on Edge of Holey Graphene Accelerate Electrochemical Hydrogen Evolution Reaction. Advanced Science 52.
Journal Article
52 (4), pp. 1006 - 1015 (2019)
The Surface of Ice under Equilibrium and Nonequilibrium Conditions. Accounts of Chemical Research 53.
Journal Article
15 (1), pp. 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 54.
Journal Article
4 (11), pp. 2615 - 2627 (2018)
Large Hydrogen-Bond Mismatch between TMAO and Urea Promotes Their Hydrophobic Association. Chem 55.
Journal Article
122 (9), pp. 2401 - 2410 (2018)
Time-Resolved Sum Frequency Generation Spectroscopy: A Quantitative Comparison Between Intensity and Phase-Resolved Spectroscopy. The Journal of Physical Chemistry A 56.
Journal Article
122 (14), pp. 3667 - 3679 (2018)
Structure from Dynamics: Vibrational Dynamics of Interfacial Water as a Probe of Aqueous Heterogeneity. The Journal of Physical Chemistry B 57.
Journal Article
4 (3), eaap7415 (2018)
Saturation of charge-induced water alignment at model membrane surfaces. Science Advances 58.
Journal Article
9, 885 (2018)
Coupling between intra- and intermolecular motions in liquid water revealed by two-dimensional terahertz-infrared-visible spectroscopy. Nature Communications 59.
Journal Article
3 (7), pp. 1539 - 1544 (2018)
Graphene Layer Encapsulation of Non-Noble Metal Nanoparticles as Acid-Stable Hydrogen Evolution Catalysts. ACS Energy Letters 60.
Journal Article
8 (4), pp. 3579 - 3586 (2018)
Cooperation between holey graphene and NiMo alloy for hydrogen evolution in an acidic electrolyte. ACS Catalysis