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7 changes: 3 additions & 4 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -125,10 +125,9 @@ year = {2018},
@Article{molSimplify2.0,
author = {Terrones, Gianmarco G. and St. Michel, Roland G. and Toney, Jacob W. and Ball, Akash K. and Wang, Yiran and Garrison, Aaron G. and Nandy, Aditya and Meyer, Ralf and Edholm, Freya and Oh, Changhwan and Pujet, Sebastian G. and Chu, Daniel B. K. and Muhammetgulyyev, Davut and Kulik, Heather J.},
title = {molSimplify 2.0: Improved Structure Generation for Automating Discovery in Inorganic Molecular and Reticular Chemistry},
volume = {XXX},
number = {XXX},
pages = {XXX-XXX},
issn = {XXX-XXX},
volume = {66},
number = {5},
pages = {2753-2767},
url = {https://doi.org/10.1021/acs.jcim.5c02733},
doi = {10.1021/acs.jcim.5c02733},
year = {2026},
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7 changes: 3 additions & 4 deletions docs/source/Citation.rst
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Expand Up @@ -41,10 +41,9 @@ Structure Generation
@Article{molSimplify2.0,
author = {Terrones, Gianmarco G. and St. Michel, Roland G. and Toney, Jacob W. and Ball, Akash K. and Wang, Yiran and Garrison, Aaron G. and Nandy, Aditya and Meyer, Ralf and Edholm, Freya and Oh, Changhwan and Pujet, Sebastian G. and Chu, Daniel B. K. and Muhammetgulyyev, Davut and Kulik, Heather J.},
title = {molSimplify 2.0: Improved Structure Generation for Automating Discovery in Inorganic Molecular and Reticular Chemistry},
volume = {XXX},
number = {XXX},
pages = {XXX-XXX},
issn = {XXX-XXX},
volume = {66},
number = {5},
pages = {2753-2767},
url = {https://doi.org/10.1021/acs.jcim.5c02733},
doi = {10.1021/acs.jcim.5c02733},
year = {2026},
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2 changes: 1 addition & 1 deletion molSimplify/Classes/globalvars.py
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Expand Up @@ -650,7 +650,7 @@ def __init__(self):
E.I. Ioannidis, T.Z.H. Gani, H.J. Kulik. J. Comput. Chem. 2016, 37, 2106-2117.
J.P. Janet, Q. Zhao, E.I. Ioannidis, H.J. Kulik. Mol. Simul. 2017, 43(5-6), 327-345.
J.P. Janet, T.Z.H. Gani, A.H. Steeves, E.I. Ioannidis, H.J. Kulik. Ind. Eng. Chem. Res. 2017, 56(17), 4898-4910.
G.G. Terrones, R.G. St. Michel, J.W. Toney, A.K. Ball, Y. Wang, A.G. Garrison, A. Nandy, R. Meyer, F. Edholm, C. Oh, S.G. Pujet, D.B.K. Chu, D. Muhammetgulyyev, H.J. Kulik. J. Chem. Inf. Model. 2026, XXX, XXX-XXX.
G.G. Terrones, R.G. St. Michel, J.W. Toney, A.K. Ball, Y. Wang, A.G. Garrison, A. Nandy, R. Meyer, F. Edholm, C. Oh, S.G. Pujet, D.B.K. Chu, D. Muhammetgulyyev, H.J. Kulik. J. Chem. Inf. Model. 2026, 66(5), 2753-2767.
For an extended list of references, please see https://molsimplify.readthedocs.io/en/latest/Citation.html
'''.rstrip('\n')

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