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3 results in Authors: Shubham Sharma

Theoretical and Computational Chemistry

On the equivalence of grand-canonical and capacitor-based models in first-principle electrochemistry

Georg Kastlunger, Sudarshan Vijay, Shubham Sharma, Xi Chen, Andrew Peterson

Version 1 posted 11 December 2023

206

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Physical Chemistry

Structural and Spectroscopic Characterization of Pyrene Derived Carbon Nano Dots: A Single Particle Level Analysis

Gayatri Batra, Shubham Sharma, Kush Kaushik, Chethana Rao, Pawan Kumar, Krishan Kumar, Subrata Ghosh, Deep Jariwala, Eric A. Stach, Aditya Yadav, Chayan Kanti Nandi

Version 2 posted 19 July 2021

997

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Theoretical and Computational Chemistry

PLAS-20k: Extended Dataset of Protein-Ligand Affinities from MD Simulations for Machine Learning Applications

U. Deva Priyakumar, Divya B Korlepara, Vasavi C.S., Rakesh Srivastava, Pradeep Kumar Pal, Saalim H. Raza, Vishal Kumar, Shivam Pandit, Aathira G. Nair, Sanjana Pandey, Shubham Sharma, Shruti Jeurkar, Kavita Thakran, Reena Jaglan, Shivangi Verma, Indhu Ramachandran, Prathit Chatterjee, Divya Nayar

Version 1 posted 07 August 2023

503

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