1 / 2

Crystal Growth Control: Insights from Electronic Calculations

Explore the correlation between Fukui functions and crystal growth motifs using electronic calculations of clonixin polymorphs. Keynote presentation at MOSSCS XVIII on rational control of crystal growth by Prof. Carol Brock. Engage with scientific outreach activities like "Girls in Science" camp.

xandy
Download Presentation

Crystal Growth Control: Insights from Electronic Calculations

An Image/Link below is provided (as is) to download presentation Download Policy: Content on the Website is provided to you AS IS for your information and personal use and may not be sold / licensed / shared on other websites without getting consent from its author. Content is provided to you AS IS for your information and personal use only. Download presentation by click this link. While downloading, if for some reason you are not able to download a presentation, the publisher may have deleted the file from their server. During download, if you can't get a presentation, the file might be deleted by the publisher.

E N D

Presentation Transcript

  1. Towards Fundamental Understanding and Rational Control of Crystal Growth Tonglei Li, University of Kentucky, DMR 0449633 Electronic calculations of four polymorphs of clonixin, an antiinflammatory and analgesic drug. The distribution of Fukui functions correlates nicely with the intermolecular interactions and close contacts, which dictate the molecular packing motifs. The correlation is further illustrated by the linear relationship between lattice energy and the summary of nuclear Fukui functions of the peripheral atoms of the molecule.

  2. Towards Fundamental Understanding and Rational Control of Crystal Growth The MOSSCS XVIII attendees had a taste of a local bourbon distillery. Tonglei Li, University of Kentucky, DMR 0449633 Prof. Carol Brock gave the keynote presentation “Now and Then” at the Midwest Organic Solid State Chemistry Symposium (MOSSCS) XVIII held in Lexington, KY, June 8-9, 2007. Graduate student Clare Medendorp taught a group of middle-school girls during the “Girls in Science” summer camp at the university.

More Related