Publikationen von Mayank Dodia

Dodia, M.; Rouxel, J. R.; Cho, D.; Zhang, Y.; Keefer, D.; Bonn, M.; Nagata, Y.; Mukamel, S.: Water Solvent Reorganization upon Ultrafast Resonant Stimulated X-ray Raman Excitation of a Metalloporphyrin Dimer. Journal of Chemical Theory and Computation 20 (10), S. 4254 - 4264 (2024)

Zhong, K.; Yu, C.-C.; Dodia, M.; Bonn, M.; Nagata, Y.; Ohto, T.: Vibrational mode frequency correction of liquid water in density functional theory molecular dynamics simulations with van der Waals correction. Physical Chemistry Chemical Physics 22 (22), S. 12785 - 12793 (2020)

Ohto, T.; Dodia, M.; Xu, J.; Imoto, S.; Tang, F.; Zysk, F.; Kühne, T. D.; Shigeta, Y.; Bonn, M.; Wu, X. et al.; Nagata, Y.: Accessing the Accuracy of Density Functional Theory through Structure and Dynamics of the Water–Air Interface. The Journal of Physical Chemistry Letters 10 (17), S. 4914 - 4919 (2019)

Dodia, M.; Ohto, T.; Imoto, S.; Nagata, Y.: Structure and Dynamics of Water at the Water-Air Interface Using First-Principles Molecular Dynamics Simulations. II. NonLocal vs Empirical van der Waals Corrections. Journal of Chemical Theory and Computation 15 (6), S. 3836 - 3843 (2019)

Ohto, T.; Dodia, M.; Imoto, S.; Nagata, Y.: Structure and Dynamics of Water at the Water-Air Interface Using First-Principles Molecular Dynamics Simulations within Generalized Gradient Approximation. Journal of Chemical Theory and Computation 15 (1), S. 595 - 602 (2019)