E-mail a Wiley Online Library Link

Cover Image, Volume 35, Issue 3 Journal of Computational Chemistry 35

Article first published online: 25 DEC 2013 | DOI: 10.1002/jcc.23520

Thumbnail image of graphical abstract

When capturing molecules, the catcher needs to fit like a glove around its target. The weak interactions between a buckyball and a series of corannulene-derived buckybowls are analyzed for possible substitution patterns that improve the bonding between the two. More important than a description of the interaction is a reliable way to experimentally establish a binding constant for the molecular capture. To this end, Ivan Welsh and Matthias Lein on page 181 analyze and predict the NMR chemical shifts of selected protons that can be used when new catch-and-release compounds are designed.

Complete the form below and we will send an e-mail message containing a link to the selected article on your behalf

Required = Required Field

Choose captcha format: Image or Audio. Click here if you need help.