Accurate quantum chemical energies for 133 000 organic molecules

por Narayanan, Badri, Redfern, Paul C., Assary, Rajeev S., Curtiss, Larry A.
Publicado 2019

An SECM‐Based Spot Analysis for Redoxmer‐Electrode Kinetics: Identifying Redox Asymmetries on Model Graphitic Carbon Interfaces

por Gaddam, Raghuram, Sarbapalli, Dipobrato, Howard, Jason, Curtiss, Larry A., Assary, Rajeev S., Rodríguez‐López, Joaquín
Publicado 2022

Interactions of CO(2) Anion Radicals with Electrolyte Environments from First-Principles Simulations

por Cencer, Morgan M., Li, Chenyang, Agarwal, Garvit, Gomes Neto, Reginaldo Jose, Amanchukwu, Chibueze V., Assary, Rajeev S.
Publicado 2022

The lightest organic radical cation for charge storage in redox flow batteries

por Huang, Jinhua, Pan, Baofei, Duan, Wentao, Wei, Xiaoliang, Assary, Rajeev S., Su, Liang, Brushett, Fikile R., Cheng, Lei, Liao, Chen, Ferrandon, Magali S., Wang, Wei, Zhang, Zhengcheng, Burrell, Anthony K., Curtiss, Larry A., Shkrob, Ilya A., Moore, Jeffrey S., Zhang, Lu
Publicado 2016