#  Citation

xyzrender uses [xyzgraph](https://github.com/aligfellow/xyzgraph) and [graphRC](https://github.com/aligfellow/graphRC) for all molecular graph construction — bond orders, aromaticity detection, NCI interactions, and TS bond detection. If you use xyzrender in published work, please cite:

> A.S. Goodfellow* and B.N. Nguyen, *J. Chem. Theory Comput.*, 2026, DOI: [10.1021/acs.jctc.5c02073](https://doi.org/10.1021/acs.jctc.5c02073)

Preprint: 
> A.S. Goodfellow* and B.N. Nguyen, *ChemRxiv*, 2025, DOI: [10.26434/chemrxiv-2025-k69gt](https://doi.org/10.26434/chemrxiv-2025-k69gt)

## BibTeX

```bibtex
@article{goodfellow2026xyzgraph,
  author  = {Goodfellow, A.S. and Nguyen, B.N.},
  title   = {Graph-Based Internal Coordinate Analysis for Transition State Characterization},
  journal = {J. Chem. Theory Comput.},
  year    = {2026},
  doi     = {10.1021/acs.jctc.5c02073},
}
```