Browsing by Author MONDAL, UNMESH
Showing results 1 to 5 of 5
| Issue Date | Title | Author(s) |
| Nov-2019 | Theoretical investigations of a platinum-water interface using quantum-mechanics-molecular-mechanics based molecular dynamics simulations | HARDIKAR, R. P.; MONDAL, UNMESH; Thakkar, Foram M.; Roy, Sudip; GHOSH, PRASENJIT; Dept. of Chemistry; Dept. of Physics |
| Jun-2021 | Role of geometry, charge and fluxionality of clusters in CO2 activation on supported sub-nanometer metal clusters: The case of Cu tetramers on pristine and O-terminated MXene | MONDAL, UNMESH; GHOSH, PRASENJIT; Dept. of Chemistry; Dept. of Physics |
| Nov-2021 | CH4 activation and C–C coupling on the Ti2C(100) surface in the presence of intrinsic C-vacancies: is excess good? | KURIAKOSE, NISHAMOL; MONDAL, UNMESH; GHOSH, PRASENJIT; Dept. of Chemistry; Dept. of Physics |
| Jun-2023 | Effect of Quantum Delocalization on Temperature Dependent Double Proton Transfer in Molecular Crystals of Terephthalic Acid | MONDAL, UNMESH; Girotto, Ivan; Hassanali, Ali; GHOSH, PRASENJIT; Dept. of Chemistry; Dept. of Physics |
| Aug-2023 | Nuclear Quantum Effects in Hydrogen-Bonded Systems: A Path Integral Molecular Dynamics Study | GHOSH, PRASENJIT; MONDAL, UNMESH; Dept. of Chemistry; 20152031 |
