| Toward ab initio molecular dynamics modeling for sum-frequency generation spectra; an efficient algorithm based on surface-specific velocity-velocity correlation … T Ohto, K Usui, T Hasegawa, M Bonn, Y Nagata The Journal of chemical physics 143 (12), 124702, 2015 | 129 | 2015 |
| A polarizable water model for intramolecular and intermolecular vibrational spectroscopies T Hasegawa, Y Tanimura The Journal of Physical Chemistry B 115 (18), 5545-5553, 2011 | 120 | 2011 |
| Water bending mode at the water–vapor interface probed by sum-frequency generation spectroscopy: A combined molecular dynamics simulation and experimental study Y Nagata, CS Hsieh, T Hasegawa, J Voll, EHG Backus, M Bonn The journal of physical chemistry letters 4 (11), 1872-1877, 2013 | 116 | 2013 |
| Mapping atomic motions with ultrabright electrons: towards fundamental limits in space-time resolution S Manz, A Casandruc, D Zhang, Y Zhong, RA Loch, A Marx, T Hasegawa, ... Faraday discussions 177, 467-491, 2015 | 114 | 2015 |
| Coupling between intra-and intermolecular motions in liquid water revealed by two-dimensional terahertz-infrared-visible spectroscopy M Grechko, T Hasegawa, F D’Angelo, H Ito, D Turchinovich, Y Nagata, ... Nature communications 9 (1), 1-8, 2018 | 87 | 2018 |
| A polyaromatic nanocapsule as a sucrose receptor in water M Yamashina, M Akita, T Hasegawa, S Hayashi, M Yoshizawa Science advances 3 (8), e1701126, 2017 | 85 | 2017 |
| Calculating fifth-order Raman signals for various molecular liquids by equilibrium and nonequilibrium hybrid molecular dynamics simulation algorithms T Hasegawa, Y Tanimura The Journal of chemical physics 125 (7), 074512, 2006 | 67 | 2006 |
| Two-dimensional fifth-order Raman spectroscopy of liquid formamide: Experiment and theory YL Li, L Huang, RJ Dwayne Miller, T Hasegawa, Y Tanimura The Journal of chemical physics 128 (23), 234507, 2008 | 65 | 2008 |
| The surface roughness, but not the water molecular orientation varies with temperature at the water–air interface Y Nagata, T Hasegawa, EHG Backus, K Usui, S Yoshimune, T Ohto, ... Physical Chemistry Chemical Physics 17 (36), 23559-23564, 2015 | 62 | 2015 |
| Observation and identification of a new OH stretch vibrational band at the surface of ice WJ Smit, F Tang, Y Nagata, MA Sánchez, T Hasegawa, EHG Backus, ... The journal of physical chemistry letters 8 (15), 3656-3660, 2017 | 57 | 2017 |
| Excess Hydrogen Bond at the Ice-Vapor Interface around 200 K WJ Smit, F Tang, MA Sánchez, EHG Backus, L Xu, T Hasegawa, M Bonn, ... Physical review letters 119 (13), 133003, 2017 | 56 | 2017 |
| Nonequilibrium molecular dynamics simulations with a backward-forward trajectories sampling for multidimensional infrared spectroscopy of molecular vibrational modes T Hasegawa, Y Tanimura The Journal of chemical physics 128 (6), 064511, 2008 | 54 | 2008 |
| Definition of free O–H groups of water at the air–water interface F Tang, T Ohto, T Hasegawa, WJ Xie, L Xu, M Bonn, Y Nagata Journal of chemical theory and computation 14 (1), 357-364, 2018 | 50 | 2018 |
| π+–π+ stacking of imidazolium cations enhances molecular layering of room temperature ionic liquids at their interfaces F Tang, T Ohto, T Hasegawa, M Bonn, Y Nagata Physical Chemistry Chemical Physics 19 (4), 2850-2856, 2017 | 49 | 2017 |
| X-ray crystallographic structure of thermophilic rhodopsin implications for high thermal stability and optogenetic function T Tsukamoto, K Mizutani, T Hasegawa, M Takahashi, N Honda, ... Journal of Biological Chemistry 291 (23), 12223-12232, 2016 | 46 | 2016 |
| Molecular dynamics simulations of SFG librational modes spectra of water at the water–air interface R Khatib, T Hasegawa, M Sulpizi, EHG Backus, M Bonn, Y Nagata The Journal of Physical Chemistry C 120 (33), 18665-18673, 2016 | 41 | 2016 |
| Calculating two-dimensional THz-Raman-THz and Raman-THz-THz signals for various molecular liquids: The samplers H Ito, T Hasegawa, Y Tanimura The Journal of chemical physics 141 (12), 124503, 2014 | 29 | 2014 |
| Effects of intermolecular charge transfer in liquid water on Raman spectra H Ito, T Hasegawa, Y Tanimura The journal of physical chemistry letters 7 (20), 4147-4151, 2016 | 28 | 2016 |
| One-Minute Joule Annealing Enhances the Thermoelectric Properties of Carbon Nanotube Yarns via the Formation of Graphene at the Interface M Hada, T Hasegawa, H Inoue, M Takagi, K Omoto, D Chujo, S Iemoto, ... ACS Applied Energy Materials 2 (10), 7700-7708, 2019 | 26 | 2019 |
| Analyzing atomic liquids and solids by means of two-dimensional Raman spectra in frequency domain Y Nagata, T Hasegawa, Y Tanimura The Journal of chemical physics 124 (19), 194504, 2006 | 23 | 2006 |
