diff --git a/docs/refs.bib b/docs/refs.bib index 1db1674..4bba764 100644 --- a/docs/refs.bib +++ b/docs/refs.bib @@ -1,3 +1,15 @@ +@article{gensch_kraken_2022, + title = {A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis}, + author = {Gensch, Tobias and {dos Passos Gomes}, Gabriel and Friederich, Pascal and Peters, Ellyn and Gaudin, Th{\'e}ophile and Pollice, Robert and Jorner, Kjell and Nigam, AkshatKumar and {Lindner-D'Addario}, Michael and Sigman, Matthew S. and {Aspuru-Guzik}, Al{\'a}n}, + year = {2022}, + month = jan, + journal = {Journal of the American Chemical Society}, + volume = {144}, + number = {3}, + pages = {1205--1217}, + doi = {10.1021/jacs.1c09718} +} + @article{bilbrey_solid_2013, title = {Exact ligand solid angles}, author = {Bilbrey, Jenna A and Kazez, Arianna H and Locklin, Jason and Allen, Wesley D}, diff --git a/docs/sterimol.rst b/docs/sterimol.rst index 1f14c46..eed2729 100644 --- a/docs/sterimol.rst +++ b/docs/sterimol.rst @@ -159,12 +159,12 @@ to L. B\ :sub:`5` is obtained from the largest projection, while B\ :sub:`1` is obtained from the smallest maximum projection for the set of vectors. Buried Sterimol was developed by Tobias Gensch while working in the group of -Matthew Sigman at the University of Utah [ref to come]. It is intended to limit -the Sterimol vectors to a volume of interest in the philosophy of the buried -volume. The original implementation uses the ``delete`` algorithm. ᴍᴏʀғᴇᴜs uses -the CRC handbook radii by default instead of the modified Bondi radii in the -original article, so results with the defualt settings might be slighly -different. +Matthew Sigman at the University of Utah :footcite:`gensch_kraken_2022`. It is +intended to limit the Sterimol vectors to a volume of interest in the +philosophy of the buried volume. The original implementation uses the +``delete`` algorithm. ᴍᴏʀғᴇᴜs uses the CRC handbook radii by default instead of +the modified Bondi radii in the original article, so results with the defualt +settings might be slighly different. .. __: https://github.com/bobbypaton/Sterimol