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5 results in Authors: Shubhajit Das

Theoretical and Computational Chemistry

Capturing Dichotomic Solvent Behavior in Solute--Solvent Reactions with Neural Network Potentials

Frederic Célerse, Veronika Juraskova, Shubhajit Das, Matthew Wodrich, Clemence Corminboeuf

Version 1 posted 09 September 2024

132

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Microkinetic Molecular Volcano Plots for Enhanced Catalyst Selectivity and Activity Predictions

Thanapat Worakul, Rubén Laplaza, Shubhajit Das, Matthew Wodrich, Clemence Corminboeuf

Version 1 posted 27 February 2024

417

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Materials Chemistry

Engineering Photoswitching Dynamics in 3D Photochromic Metal-Organic Frameworks through Metal-Organic Polyhedron Design

Eunji Jin, Volodymyr Bon, Shubhajit Das, A. D. Dinga Wonanke, Martin Etter, Martin A. Karlsen, Ankita De, Nadine Bönisch, Thomas Heine, Stefan Kaskel

Version 1 posted 25 November 2024

149

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Theoretical and Computational Chemistry

Investigating Tetrel based Neutral Frustrated Lewis Pairs for Hydrogen Activation

Pallavi Sarkar, Shubhajit Das, Swapan K. Pati

Version 1 posted 28 June 2021

376

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Engineering Frustrated Lewis Pair Active Sites in Porous Organic Scaffolds for Catalytic CO2 Hydrogenation

Shubhajit Das, Ruben Laplaza, J. Terence Blaskovits, Clémence Corminboeuf

Version 2 posted 31 January 2024

586

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