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Rajeev S. Assary

3 results in Authors: Rajeev S. Assary

Theoretical and Computational Chemistry

Graph-Based Approaches for Predicting Solvation Energy in Multiple Solvents: Open Datasets and Machine Learning Models

Logan Ward, Naveen Dandu, Ben Blaiszik, Badri Narayanan, Rajeev S. Assary, Paul C. Redfern, Ian Foster, Larry A. Curtiss

Version 1 posted 01 July 2021

640

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Shape-persistent ladder molecules exhibit nanogap-independent conductance in single-molecule junctions

Xiaolin Liu, Hao Yang, Hassan Harb, Rajarshi Samajdar, Toby J. Woods, Oliver Lin, Qian Chen, Adolfo I. B. Romo, Joaquín Rodríguez-López, Rajeev S. Assary, Jeffrey S. Moore, Charles M. Schroeder

Version 1 posted 04 December 2023

460

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Theoretical and Computational Chemistry

E_min: A First-Principles Thermochemical Descriptor for Predicting Molecular Synthesizability

Andrew Lee, Sarah N. Elliott, Hassan Harb, Logan Ward, Ian T. Foster, Larry A. Curtiss, Rajeev S. Assary

Version 1 posted 30 January 2024

317

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