-
ESI as a data repository for the main article!
- molecules expressed in (non-decaying) CML
- Jmol Applet as (a still functional!) presentation layer
- in the style of an explorable story-board
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Quick-response (QR) access to data allowed (2011) a facile re-investigation ... with revised conclusions!
- But not all the (bulky) data was captured ...
- ... such as the wavefunctions Ψ
E. L. Marshall, V. C. Gibson, and H. S. Rzepa, J. Am. Chem. Soc., 2005, 127, 6048-6051. doi: 10.1021/ja043819b