@article{3470ddd4ce0b42cc88ebd47fe13a901c,
title = "Network Analysis of Substituted Bullvalenes",
abstract = "Substituted bullvalenes are dynamic shape-shifting molecules that exist within complex reaction networks. Herein, we report the synthesis of di- and trisubstituted bullvalenes and investigate their dynamic properties. Trisubstituted bullvalenes share a common major isomer which shows kinetic metastability. A survey of the thermodynamic and kinetic landscapes through computational analysis together with kinetic simulation provides a map of the internal dynamics of these systems.",
author = "Oussama Yahiaoui and Pa{\v s}teka, {Luk{\'a}{\v s} F.} and Blake, {Christopher J.} and Newton, {Christopher G.} and Thomas Fallon",
note = "Funding Information: We gratefully acknowledge the New Zealand Royal Society (Marsden Fund No. 15-MAU-154). We gratefully thank Ms. Eliza Tarcoveanu (Australian National University, Canberra) for assistance with NMR measurements. Calculations were performed using the supercomputing infrastructure of the Computing Center of the Slovak Academy of Sciences acquired in projects ITMS 26230120002 and 26210120002 supported by the Research & Development Operational Programme funded by the ERDF. LFP is grateful for the support from the Slovak Research and Development Agency (grant no. APVV-15-0105) and the Scientific Grant Agency of the Slovak Republic (grant no. 1/0777/19). Publisher Copyright: {\textcopyright} 2019 American Chemical Society.",
year = "2019",
month = dec,
day = "6",
doi = "10.1021/acs.orglett.9b03737",
language = "English",
volume = "21",
pages = "9574--9578",
journal = "Organic letters",
issn = "1523-7060",
publisher = "AMER CHEMICAL SOC INC",
number = "23",
}