Mahika Luthra

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Academic interests

Molecular Modelling and Simulations, Computational Catalysis and Organometallic Chemistry

Masters in Chemistry (2018-20) from Indian Institute of Technology Roorkee, India
Bachelors in Chemistry (2015-18) from University of Delhi, India

Tags: Hylleraas, Theoretical chemistry

Bai, Yunfei; Taarning, Esben; Luthra, Mahika; Lundegaard, Lars F.; Katerinopoulou, Anna & Falsig, Hanne [Show all 8 contributors for this article] (2023). Tracking Lattice Distortion Induced by Defects and Framework Tin in Beta Zeotypes. Journal of Physical Chemistry C. ISSN 1932-7447. 127(38), p. 19278–19289. doi: 10.1021/acs.jpcc.3c04751. Full text in Research Archive
Hong, Wanwan; Luthra, Mahika; Jakobsen, Joakim B.; Madsen, Monica R.; Castro, Abril C & Hammershøj, Hans Christian D. [Show all 11 contributors for this article] (2023). Exploring the Parameters Controlling Product Selectivity in Electrochemical CO<inf>2</inf> Reduction in Competition with Hydrogen Evolution Employing Manganese Bipyridine Complexes. ACS Catalysis. ISSN 2155-5435. p. 3109–3119. doi: 10.1021/acscatal.2c05951. Full text in Research Archive

Luthra, Mahika; Nova, Ainara; Balcells, David & Castro, Abril C (2022). Mechanistic Insight into Electrocatalytic CO2 Reduction with Mn Bipyride complexes using Ab-Initio MD and Static DFT.
Luthra, Mahika; Nova, Ainara; Castro, Abril C & Balcells, David (2021). Mechanistic Insight into the Electrochemical Reduction of CO2 using Homogenous Molecular Catalysts.

Published Oct. 2, 2020 1:27 PM - Last modified June 28, 2023 11:09 AM