Publications of Yuki Nagata
All genres
Journal Article (99)
1.
Journal Article
14 (36), pp. 8175 - 8182 (2023)
Fully First-Principles Surface Spectroscopy with Machine Learning. The Journal of Physical Chemistry Letters 2.
Journal Article
14, 5121 (2023)
Data-mining unveils structure-property-activity correlation of viral infectivity enhancing self-assembling peptides. Nature Communications 3.
Journal Article
127 (23), pp. 5288 - 5294 (2023)
Does the Sum-Frequency Generation Signal of Aromatic C-H Vibrations Reflect Molecular Orientation? The Journal of Physical Chemistry B 4.
Journal Article
14 (21), pp. 4949 - 4954 (2023)
True Origin of Amide I Shifts Observed in Protein Spectra Obtained with Sum Frequency Generation Spectroscopy. The Journal of Physical Chemistry Letters 5.
Journal Article
62 (10), e202216604 (2023)
Direct Probe of Electrochemical Pseudocapacitive pH Jump at a Graphene Electrode. Angewandte Chemie, International Edition in English 6.
Journal Article
135 (10), e202216604 (2023)
Direkte Visualisierung elektrochemischer pseudo-kapazitiver pH Sprünge an einer Graphenelektrode. Angewandte Chemie 7.
Journal Article
158 (4), 044701 (2023)
On the Fresnel factor correction of sum-frequency generation spectra of interfacial water. The Journal of Chemical Physics 8.
Journal Article
14 (12), pp. 3063 - 3068 (2023)
Is Unified Understanding of Vibrational Coupling of Water Possible? Hyper-Raman Measurement and Machine Learning Spectra. The Journal of Physical Chemistry Letters 9.
Journal Article
15, pp. 1146 - 1154 (2023)
Fibril formation and ordering of disordered FUS LC driven by hydrophobic interactions. Nature Chemistry 10.
Journal Article
145 (19), pp. 10622 - 10630 (2023)
Ions Speciation at the Water-Air Interface. Journal of the American Chemical Society 11.
Journal Article
Substrate effect on charging of electrified graphene/water interfaces. Faraday Discussions (2023)
12.
Journal Article
144 (43), pp. 19726 - 19738 (2022)
Nature of Cations Critically Affects Water at the Negatively Charged Silica Interface. Journal of the American Chemical Society 13.
Journal Article
126 (42), pp. 8571 - 8578 (2022)
Theoretical Sum Frequency Generation Spectra of Protein Amide with Surface-Specific Velocity–Velocity Correlation Functions. The Journal of Physical Chemistry B 14.
Journal Article
12 (20), pp. 12689 - 12700 (2022)
Elucidating Conformation and Hydrogen-Bonding Motifs of Reactive Thiourea Intermediates. ACS Catalysis 15.
Journal Article
126 (33), pp. 6113 - 6124 (2022)
Polarization-Dependent Heterodyne-Detected Sum-Frequency Generation Spectroscopy as a Tool to Explore Surface Molecular Orientation and Ångström-Scale Depth Profiling. The Journal of Physical Chemistry B 16.
Journal Article
128 (22), 226001 (2022)
Polarization-Dependent Sum-Frequency Generation Spectroscopy for Angstrom-Scale Depth Profiling of Molecules at Interfaces. Physical Review Letters 17.
Journal Article
4 (9), pp. 2890 - 2990 (2022)
Tuning Ice Nucleation by Mussel-Adhesive Inspired Polyelectrolytes: The Role of Hydrogen Bonding. CCS Chemistry 18.
Journal Article
13 (16), pp. 3712 - 3717 (2022)
Where Lennard-Jones Potentials Fail: Iterative Optimization of Ion- Water Pair Potentials Based on Ab Initio Molecular Dynamics Data. The Journal of Physical Chemistry Letters 19.
Journal Article
156 (9), 094703 (2022)
Accurate molecular orientation at interfaces determined by multimode polarization-dependent heterodyne-detected sum-frequency generation spectroscopy via multidimensional orientational distribution function. The Journal of Chemical Physics 20.
Journal Article
126 (4), pp. 2179 - 2183 (2022)
Scratch-Healing Behavior of Ice by Local Sublimation and Condensation. The Journal of Physical Chemistry C