Browsing by Author Lourderaj, Upakarasamy
Showing results 1 to 11 of 11
| Issue Date | Title | Author(s) |
| 2010-10-13 | Chemical Dynamics Simulations of CO2 in the Ground and First Excited Bend States Colliding with a Perfluorinated Self-Assembled Monolayer | Lourderaj, Upakarasamy |
| 2023-07 | Classical and quantum dynamical study of the thermal denitrogenation of 1-pyrazoline | M, Uday Sankar; Lourderaj, Upakarasamy |
| 2022-04-12 | Computational studies of aromatic substitution and gas-surface reactions | Sharma, Nishant; Lourderaj, Upakarasamy |
| 2023-07 | Computational studies of isomerization and hydrolysis of N2O4 | Dhiman, Anshika; Lourderaj, Upakarasamy |
| 2022-11-30 | Computational studies of the mechanisms and dynamics of chemical reactions | Yadav, Komal; Lourderaj, Upakarasamy |
| 2018-06-05 | Computational study of proton transfer in diformyl dipyprromethanes and denitrogentation of 1-pyrazolines | Pradhan, Renuka; Lourderaj, Upakarasamy |
| 2010-08-18 | Higher-accuracy schemes for approximating the Hessian from electronic structure calculations in chemical dynamics simulations | Lourderaj, Upakarasamy |
| 2022-06-20 | Machine learning for chemical dynamics simulations | Barethyia, Shrishti; Lourderaj, Upakarasamy |
| 2023-08 | Machine learning representation of potential energy surfaces and energy transfer in gas-surface scattering | Biswas, Rupayan; Lourderaj, Upakarasamy |
| 2023-07 | Non-statistical isomerization dynamics in guanidine and photodissociation dynamics of methanol | Seal, Aniruddha; Lourderaj, Upakarasamy |
| 2024-05 | Representation potential energy surfaces using machine learning | Rana, Siddhuram; Lourderaj, Upakarasamy |
