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Sho Imoto
Sho Imoto
QSimulate
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Zitiert von
Jahr
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
1352020
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
1002016
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
782011
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
752018
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
742015
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
602013
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
542019
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
522019
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
522016
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
432015
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
392020
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
332013
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
232018
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
212018
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
192020
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
162019
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
152022
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
152019
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
132019
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
132019
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