| 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 | 62 | 2019 |
| 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, 2019 | 21 | 2019 |
| Vibrational mode frequency correction of liquid water in density functional theory molecular dynamics simulations with van der Waals correction K Zhong, CC Yu, M Dodia, M Bonn, Y Nagata, T Ohto Physical Chemistry Chemical Physics 22 (22), 12785-12793, 2020 | 17 | 2020 |
| 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 |
| Water Solvent Reorganization upon Ultrafast Resonant Stimulated X-ray Raman Excitation of a Metalloporphyrin Dimer M Dodia, JR Rouxel, D Cho, Y Zhang, D Keefer, M Bonn, Y Nagata, ... Journal of Chemical Theory and Computation, 2024 | | 2024 |
Yuki NagataMax-Planck Institute for Polymer ResearchVerified email at mpip-mainz.mpg.de
