Imperial College London

DrKimJelfs

Faculty of Natural SciencesDepartment of Chemistry

Senior Lecturer
 
 
 
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Contact

 

+44 (0)20 7594 3438k.jelfs Website

 
 
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Location

 

207AMolecular Sciences Research HubWhite City Campus

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Summary

 

Publications

Citation

BibTex format

@article{Santolini:2017:10.1039/c7nr00703e,
author = {Santolini, V and Miklitz, M and Berardo, E and Jelfs, KE},
doi = {10.1039/c7nr00703e},
journal = {Nanoscale},
pages = {5280--5298},
title = {Topological landscapes of porous organic cages},
url = {http://dx.doi.org/10.1039/c7nr00703e},
volume = {9},
year = {2017}
}

RIS format (EndNote, RefMan)

TY  - JOUR
AB - We define a nomenclature for the classification of porous organic cage molecules, enumerating the 20 most probable topologies, 12 of which have been synthetically realised to date. We then discuss the computational challenges encountered when trying to predict the most likely topological outcomes from dynamic covalent chemistry (DCC) reactions of organic building blocks. This allows us to explore the extent to which comparing the internal energies of possible reaction outcomes is successful in predicting the topology for a series of 10 different building block combinations.
AU - Santolini,V
AU - Miklitz,M
AU - Berardo,E
AU - Jelfs,KE
DO - 10.1039/c7nr00703e
EP - 5298
PY - 2017///
SN - 2040-3372
SP - 5280
TI - Topological landscapes of porous organic cages
T2 - Nanoscale
UR - http://dx.doi.org/10.1039/c7nr00703e
UR - http://hdl.handle.net/10044/1/45580
VL - 9
ER -