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Surajit Nandi

3 results in Authors: Surajit Nandi

Theoretical and Computational Chemistry

Large dataset of molecular and reaction energies from multi-level quantum chemical methods

Surajit Nandi, Tejs Vegge, Arghya Bhowmik

Version 2 posted 09 September 2022

786

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Theoretical and Computational Chemistry

Cheap turns superior: A linear regression-based correction method to reaction energy from DFT

Surajit Nandi, Jonas Busk, Peter Bjørn Jørgensen, Tejs Vegge, Arghya Bhowmik

Version 1 posted 15 June 2022

393

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Degradation of quinone-based flow battery electrolytes: Effect of functional groups on the reaction mechanism

Surajit Nandi, Leonardo Evaristo de Sousa, Tejs Vegge, Piotr de Silva

Version 1 posted 29 April 2022

344

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