From: Amara Graps (amara@amara.com)
Date: Tue Jun 12 2001 - 01:05:26 MDT
From: Eugene Leitl <Eugene.Leitl@lrz.uni-muenchen.de>
>Ethanol and methanol are two different kind of animals. Ethanol typically
>means biomass, methanol petrochemicals and/or biomass, via the synthesis
>gas route.
related news from
SCIENTIFIC COMPUTING NEWSLINE
Issue 41, June 2001
http://scnewsline.campublishers.com
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Molecular modelling of ethane rewrites chemistry textbooks
Computer models of the dynamics of ethane have overturned the
standard chemistry textbook explanation of the forces that control
the shape of molecules.
The research, by Professor Lionel Goodman and his student Vojislava
Pophristic of Rutgers University in New Jersey, has shown that the
steric effect - a repulsive force between atoms - is not, as had
been believed, the principal reason why molecules tend to maintain
the shapes they do. Instead, the two researchers showed that the
force keeping atoms in position within a molecule is
hyperconjugation, the ability of electrons to jump from one atom to
another.
They carried out their study using two major US computers, the San
Diego Supercomputer Center at the University of California and the
High Performance Computer Facility in the Rutgers Chemistry
Department in New Brunswick,
Goodman and Pophristic's research could have implications throughout
chemistry and biology, including the 'protein folding' problem.
Understanding how proteins fold - assume the structures they do - is
considered the greatest unmet challenge to structural chemists and
biologists. The research has just been published in Nature.
http://ur.rutgers.edu/
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Amara Graps email: amara@amara.com
Computational Physics vita: finger agraps@shell5.ba.best.com
Multiplex Answers URL: http://www.amara.com/
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"Whenever I see an adult on a bicycle, I do not despair for the
future of the human race." -- H. G. Wells
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