Publikationen von Yuki Nagata
Alle Typen
Zeitschriftenartikel (105)
41.
Zeitschriftenartikel
11 (19), S. 8459 - 8469 (2020)
The Bending Mode of Water: A Powerful Probe for Hydrogen Bond Structure of Aqueous Systems. The Journal of Physical Chemistry Letters 42.
Zeitschriftenartikel
11 (1), 5977 (2020)
Vibrational couplings and energy transfer pathways of water's bending mode. Nature Communications 43.
Zeitschriftenartikel
22 (22), S. 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 44.
Zeitschriftenartikel
10 (1), S. 792 - 799 (2019)
Effect of Graphene Encapsulation of NiMo Alloys on Oxygen Evolution Reaction. ACS Catalysis 45.
Zeitschriftenartikel
10 (21), S. 6936 - 6941 (2019)
Unveiling Heterogeneity of Interfacial Water through the Water Bending Mode. The Journal of Physical Chemistry Letters 46.
Zeitschriftenartikel
10 (17), S. 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 47.
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 48.
Zeitschriftenartikel
58 (1), S. 332 - 337 (2019)
Specific Ion Effects on an Oligopeptide: Bidentate binding matters for the Guanidinium Cation. Angewandte Chemie International Edition 49.
Zeitschriftenartikel
131 (1), S. 338 - 343 (2019)
Spezifische Ionen‐Effekte am Beispiel eines Oligopeptids: die Rolle zweizähniger Koordination beim Guanidinium‐Kation. Angewandte Chemie 50.
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 51.
Zeitschriftenartikel
3 (9), 1900045 (2019)
Damage-Free Solar Dewatering of Micro-Algal Concentrates via Multifunctional Hierarchical Porous Graphene. Advanced Sustainable Systems 52.
Zeitschriftenartikel
6 (10), 1900119 (2019)
Chemical Dopants on Edge of Holey Graphene Accelerate Electrochemical Hydrogen Evolution Reaction. Advanced Science 53.
Zeitschriftenartikel
52 (4), S. 1006 - 1015 (2019)
The Surface of Ice under Equilibrium and Nonequilibrium Conditions. Accounts of Chemical Research 54.
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 55.
Zeitschriftenartikel
4 (11), S. 2615 - 2627 (2018)
Large Hydrogen-Bond Mismatch between TMAO and Urea Promotes Their Hydrophobic Association. Chem 56.
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 57.
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 58.
Zeitschriftenartikel
4 (3), eaap7415 (2018)
Saturation of charge-induced water alignment at model membrane surfaces. Science Advances 59.
Zeitschriftenartikel
9, 885 (2018)
Coupling between intra- and intermolecular motions in liquid water revealed by two-dimensional terahertz-infrared-visible spectroscopy. Nature Communications 60.
Zeitschriftenartikel
3 (7), S. 1539 - 1544 (2018)
Graphene Layer Encapsulation of Non-Noble Metal Nanoparticles as Acid-Stable Hydrogen Evolution Catalysts. ACS Energy Letters