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Krishnan Raghavachari

3 results in Authors: Krishnan Raghavachari

Theoretical and Computational Chemistry

3D Dense Convolutional Neural Networks Utilizing Molecular Topological Features for Accurate Atomization Energy Predictions

Ankur Gupta, Krishnan Raghavachari

Version 1 posted 20 May 2021

441

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Theoretical and Computational Chemistry

Towards Post-Hartree-Fock Accuracy for Protein-Ligand Affinities Using the Molecules-in-Molecules Fragmentation-Based Method

Ankur Gupta, Sarah Maier, Bishnu Thapa, Krishnan Raghavachari

Version 1 posted 28 November 2023

240

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Organic Chemistry

Fundamental Design Rules for Turning on Fluorescence in Ionic Molecular Crystals

Christopher R. Benson, Laura Kacenauskaite, Katherine L. VanDenburgh, Wei Zhao, Bo Qiao, Tumpa Sadhukhan, Maren Pink, Junsheng Chen, Sina Borgi, Chun-Hsing Chen, Krishnan Raghavachari, Bo W. Laursen, Amar Flood

Version 1 posted 22 October 2019

994

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