Publikationen von Mayank Dodia
Alle Typen
Zeitschriftenartikel (4)
2020
Zeitschriftenartikel
22 (22), S. 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 2019
Zeitschriftenartikel
10 (17), S. 4914 - 4919 (2019)
Accessing the Accuracy of Density Functional Theory through Structure and Dynamics of the Water–Air Interface. The Journal of Physical Chemistry Letters
Zeitschriftenartikel
15 (6), S. 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
Zeitschriftenartikel
15 (1), S. 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