Subject: . WebMolecules.com - March 2000

From: James Givens <[email-masked]>
Date: Mon, 20 Mar 2000 09:59:14 -0800

The March update WebMolecules.com is now online at:
http://www.webmolecules.com

New Features:
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- Another 25,000 molecular models have been added.
  We now have over 175,000 molecular models on-site.

- The molecular display interface (controls) have been refined.

- NSC numbers have been added as a Search 'keyword'

- Bookmarking of NSC structures is also now supported.

- Search now uses exact formula matching to search the entire database
  and it also uses partial formula matching to look into the Top 2000.
  Search coverage/reach of the WebMolecules database:
  - Formula: 100%
  - CAS RN:  ~85% (not all NSC structures have been mapped to CAS)
  - NSC Num: ~99% 
  - Name:     ~1% (only used to search the Top 2000)

Molecule of the Month
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Octanitrocubane

http://www.webmolecules.com/cgi-bin/webmolpage.cgi?octntrcb.m3d

Formula: C8 N8 O16       Weight: 464.132(1) g/mol

Wonderful! Amazing! It's something brand new.
A dense energetic, its certainly true!
Which means you must give it lots of clear room
'cause if you don't - Badda bing, badda BOOM!
(with apologies to Dr. Seuss)

First synthesized by Philip Eaton and Mao-Xi Zhang at the 
University of Chicago in 1999 (with the structure proven by
crystallographer Richard Gilardi of NRL) as recently reported in 
Angew. Chem. Int. Ed. 2000, 39 (2), 404 - 401

Provided they can synthesize it's most compact form, 
it is expected to be as much as 30% more powerful than HMX, 
the military's most powerful conventional explosive.

It appears to be quite stable, but current yields are too small
for large scale testing. And while current synthetic routes are 
too impractical for mass production, new avenues are also being
explored.

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WebMolecules.com is a FREE, sponsor-supported site.
Designed for the 3D visualization of molecules,
it contains over 175,000 molecular structures in 3D.
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First visit? Use: http://www.webmolecules.com/setup.shtml

Need help?   Try: http://www.webmolecules.com/plugins.shtml

For Graphics, go: http://www.webmolecules.com/faq_plug.shtml
For Printing, go: http://www.webmolecules.com/faq_plug.shtml

Enjoy,
James Givens
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