Automated Generation of Reaction Complexes for Double-Ended Transition State Searches

Wen-Jie Fu1, Da-Bao Li1, Chen-Ming Xue1

  • 1College of Environment and Resources, Guangxi Normal University, Guilin 541004, China.

ACS Omega
|February 23, 2026
PubMed
Summary

Orienta is a new tool that quickly creates starting geometries for chemical reactions. It helps automate complex transition state searches, reducing manual effort.

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