Publications of Mayank Dodia
All genres
Journal Article (5)
Journal Article
20 (10), pp. 4254 - 4264 (2024)
Water Solvent Reorganization upon Ultrafast Resonant Stimulated X-ray Raman Excitation of a Metalloporphyrin Dimer. Journal of Chemical Theory and Computation
Journal Article
22 (22), pp. 12785 - 12793 (2020)
Vibrational mode frequency correction of liquid water in density functional theory molecular dynamics simulations with van der Waals correction. Physical Chemistry Chemical Physics
Journal Article
: Accessing the Accuracy of Density Functional Theory through Structure and Dynamics of the Water–Air Interface. The Journal of Physical Chemistry Letters 10 (17), pp. 4914 - 4919 (2019)
Journal Article
15 (6), pp. 3836 - 3843 (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. Journal of Chemical Theory and Computation
Journal Article
15 (1), pp. 595 - 602 (2019)
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