Items where Author is "Upadhyay, Meenu"

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Toepfer, Kai and Upadhyay, Meenu and Meuwly, Markus. (2022) Quantitative molecular simulations. Physical Chemistry Chemical Physics, 24 (21). pp. 12767-12786.

Goswami, Sugata and Veliz, Juan Carlos San Vicente and Upadhyay, Meenu and Bemish, Raymond J. and Meuwly, Markus. (2022) Quantum and quasi-classical dynamics of the C(3P) + O2(3Σ −g) → CO(1Σ+) + O(1D) reaction on its electronic ground state. Physical Chemistry Chemical Physics, 24 (38). pp. 23309-23322.

Upadhyay, Meenu and Meuwly, Markus. (2021) Energy Redistribution following CO2 Formation on Cold Amorphous Solid Water. Frontiers in Chemistry, 9. p. 827085.

Upadhyay, Meenu and Pezzella, Marco and Meuwly, Markus. (2021) Genesis of Polyatomic Molecules in Dark Clouds: CO2 Formation on Cold Amorphous Solid Water. The journal of physical chemistry letters, 12 (29). pp. 6781-6787.

Upadhyay, Meenu and Meuwly, Markus. (2021) Thermal and Vibrationally Activated Decomposition of the syn-CHCHOO Criegee Intermediate. ACS Earth and Space Chemistry, 5 (12). pp. 3396-3406.

Kaser, Silvan and Boittier, Eric D. and Upadhyay, Meenu and Meuwly, Markus. (2021) Transfer Learning to CCSD (T): Accurate Anharmonic Frequencies from Machine Learning Models. Journal of Chemical Theory and Computation, 17 (‏6). pp. 3687-3699 .

Sweeny, Brendan C. and Pan, Hanqing and Kassem, Asmaa and Sawyer, Jordan C. and Ard, Shaun G. and Shuman, Nicholas S. and Viggiano, Albert A. and Brickel, Sebastian and Unke, Oliver T. and Upadhyay, Meenu and Meuwly, Markus. (2020) Thermal Activation of Methane by MgO+: Temperature Dependent Kinetics, Reactive Molecular Dynamics Simulations and Statistical Modeling. Physical Chemistry Chemical Physics, 22 (16). pp. 8913-8923.