Update README.md and docs

geem-lab · Jan 4, 2023 · 8ca1c7f · 8ca1c7f
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diff --git a/README.md b/README.md
@@ -140,16 +140,15 @@ for more details.
 
 If you use **overreact** in your research, please cite:
 
-> F. S. S. Schneider and G. F. Caramori. _**geem-lab/overreact**: a tool for
-> creating and analyzing microkinetic models built from computational chemistry
-> data, v1.0.2_. **2021**.
+> Schneider, F. S. S.; Caramori, G. F.
+> _**Overreact**, an in Silico Lab: Automative Quantum Chemical Microkinetic Simulations for Complex Chemical Reactions_.
+> Journal of Computational Chemistry **2022**, 44 (3), 209–217.
 > [doi:10.1002/jcc.26861](https://doi.org/10.1002/jcc.26861).
-> Freely available at: <<https://github.com/geem-lab/overreact>>.
 
 Here's the reference in [BibTeX](http://www.bibtex.org/) format:
 
 ```bibtex
-@article{2022,
+@article{overreact_2022,
   title={Overreact, an in silico lab: Automative quantum chemical microkinetic simulations for complex chemical reactions},
   ISSN={1096-987X},
   url={http://dx.doi.org/10.1002/jcc.26861},

diff --git a/docs/overreact.html b/docs/overreact.html
diff --git a/docs/overreact/_cli.html b/docs/overreact/_cli.html
diff --git a/docs/overreact/_constants.html b/docs/overreact/_constants.html
diff --git a/docs/overreact/_datasets.html b/docs/overreact/_datasets.html
diff --git a/docs/overreact/_misc.html b/docs/overreact/_misc.html
diff --git a/docs/overreact/api.html b/docs/overreact/api.html
diff --git a/docs/overreact/coords.html b/docs/overreact/coords.html
diff --git a/docs/overreact/core.html b/docs/overreact/core.html
diff --git a/docs/overreact/io.html b/docs/overreact/io.html
diff --git a/docs/overreact/rates.html b/docs/overreact/rates.html
diff --git a/docs/overreact/simulate.html b/docs/overreact/simulate.html
diff --git a/docs/overreact/thermo.html b/docs/overreact/thermo.html
diff --git a/docs/overreact/tunnel.html b/docs/overreact/tunnel.html
diff --git a/docs/search.js b/docs/search.js
diff --git a/overreact/api.py b/overreact/api.py
@@ -159,7 +159,7 @@ def get_enthalpies(
 
 def get_entropies(
     compounds: dict,
-    environment: Opional[str] = None,  # noqa: F821, RUF100
+    environment: Optional[str] = None,  # noqa: UP007
     method: str = "standard",
     qrrho: bool = True,  # noqa: FBT001, FBT002
     temperature: float = 298.15,