| Molecular structure and modeling of water–air and ice–air interfaces monitored by sum-frequency generation F Tang, T Ohto, S Sun, JR Rouxel, S Imoto, EHG Backus, S Mukamel, ... Chemical reviews 120 (8), 3633-3667, 2020 | 137 | 2020 |
| Design principles for high–pressure force fields: Aqueous TMAO solutions from ambient to kilobar pressures C Hölzl, P Kibies, S Imoto, R Frach, S Suladze, R Winter, D Marx, ... The Journal of chemical physics 144 (14), 2016 | 100 | 2016 |
| Orientational distribution of free OH groups of interfacial water is exponential S Sun, F Tang, S Imoto, DR Moberg, T Ohto, F Paesani, M Bonn, ... Physical review letters 121 (24), 246101, 2018 | 77 | 2018 |
| Insights in quantum dynamical effects in the infrared spectroscopy of liquid water from a semiclassical study with an ab initio-based flexible and polarizable force field J Liu, WH Miller, GS Fanourgakis, SS Xantheas, S Imoto, S Saito The Journal of chemical physics 135 (24), 2011 | 77 | 2011 |
| Water structure and solvation of osmolytes at high hydrostatic pressure: pure water and TMAO solutions at 10 kbar versus 1 bar S Imoto, H Forbert, D Marx Physical Chemistry Chemical Physics 17 (37), 24224-24237, 2015 | 75 | 2015 |
| Molecular origin of the difference in the HOH bend of the IR spectra between liquid water and ice S Imoto, SS Xantheas, S Saito The Journal of chemical physics 138 (5), 2013 | 61 | 2013 |
| Accessing the accuracy of density functional theory through structure and dynamics of the water–air interface T Ohto, M Dodia, J Xu, S Imoto, F Tang, F Zysk, TD Kühne, Y Shigeta, ... The journal of physical chemistry letters 10 (17), 4914-4919, 2019 | 56 | 2019 |
| Nature of excess hydrated proton at the water–air interface S Das, S Imoto, S Sun, Y Nagata, EHG Backus, M Bonn Journal of the American Chemical Society 142 (2), 945-952, 2019 | 53 | 2019 |
| Toward extreme biophysics: deciphering the infrared response of biomolecular solutions at high pressures S Imoto, P Kibies, C Rosin, R Winter, SM Kast, D Marx Angewandte Chemie International Edition 55 (33), 9534-9538, 2016 | 52 | 2016 |
| Ultrafast dynamics of liquid water: energy relaxation and transfer processes of the OH stretch and the HOH bend S Imoto, SS Xantheas, S Saito The Journal of Physical Chemistry B 119 (34), 11068-11078, 2015 | 43 | 2015 |
| Macroscopic conductivity of aqueous electrolyte solutions scales with ultrafast microscopic ion motions V Balos, S Imoto, RR Netz, M Bonn, DJ Bonthuis, Y Nagata, J Hunger Nature communications 11 (1), 1611, 2020 | 40 | 2020 |
| Ultrafast dynamics of liquid water: Frequency fluctuations of the OH stretch and the HOH bend S Imoto, SS Xantheas, S Saito The Journal of Chemical Physics 139 (4), 2013 | 33 | 2013 |
| Aqueous TMAO solutions as seen by theoretical THz spectroscopy: hydrophilic versus hydrophobic water S Imoto, H Forbert, D Marx Physical Chemistry Chemical Physics 20 (9), 6146-6158, 2018 | 23 | 2018 |
| Structure and dynamics of water at the water–air interface using first-principles molecular dynamics simulations within generalized gradient approximation T Ohto, M Dodia, S Imoto, Y Nagata Journal of Chemical Theory and Computation 15 (1), 595-602, 2018 | 21 | 2018 |
| Pressure-dependent electronic structure calculations using integral equation-based solvation models T Pongratz, P Kibies, L Eberlein, N Tielker, C Hölzl, S Imoto, MB Erlach, ... Biophysical Chemistry 257, 106258, 2020 | 19 | 2020 |
| Accurate molecular orientation at interfaces determined by multimode polarization-dependent heterodyne-detected sum-frequency generation spectroscopy via multidimensional … CC Yu, S Imoto, T Seki, KY Chiang, S Sun, M Bonn, Y Nagata The Journal of Chemical Physics 156 (9), 2022 | 16 | 2022 |
| Hydrogen-bonding in liquid water at multikilobar pressures H Vondracek, S Imoto, L Knake, G Schwaab, D Marx, M Havenith The Journal of Physical Chemistry B 123 (36), 7748-7753, 2019 | 16 | 2019 |
| Structure and thermodynamics of aqueous urea solutions from ambient to kilobar pressures: From thermodynamic modeling, experiments, and first principles simulations to an … C Hölzl, P Kibies, S Imoto, J Noetzel, M Knierbein, P Salmen, M Paulus, ... Biophysical Chemistry 254, 106260, 2019 | 15 | 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 M Dodia, T Ohto, S Imoto, Y Nagata Journal of Chemical Theory and Computation 15 (6), 3836-3843, 2019 | 14 | 2019 |
| Pressure response of the THz spectrum of bulk liquid water revealed by intermolecular instantaneous normal mode analysis S Imoto, D Marx The Journal of Chemical Physics 150 (8), 2019 | 13 | 2019 |
Yuki NagataMax-Planck Institute for Polymer Research在 mpip-mainz.mpg.de 的电子邮件经过验证
