Results
1 -
3 of
3
(Click
here to explore results)
- A machine learning based intramolecular potential for a flexible organic molecule. Daniel J. Cole, Letif Mones, Gábor Csányi
, Faraday Discuss.
, 2020
, 224
, 247
- Development of a new bicyclic imidazole nucleophilic organocatalyst for direct enantioselective C-acylation. Muxing Zhou, Ende He, Lu Zhang, Jianzhong Chen, Zhenfeng Zhang, Yangang Liu, Wanbin Zhang
, Org. Chem. Front.
, 2019
, 6
, 3969
- EGraFFBench: evaluation of equivariant graph neural network force fields for atomistic simulations. Vaibhav Bihani, Sajid Mannan, Utkarsh Pratiush, Tao Du, Zhimin Chen, Santiago Miret, Matthieu Micoulaut, Morten M. Smedskjaer, Sayan Ranu, N. M. Anoop Krishnan
, Digital Discovery
, 2024
, 3
, 759