really!? How good?
On Mon, Feb 16, 2009 at 5:20 PM, Yi Mao <[email protected]> wrote:
> Thanks everyone for help. I have compared the volume/surface for
> isosurfaces from Jmol with the literature data, and the agreement is
> very good!
>
> Yi
>
> On Fri, Feb 13, 2009 at 7:36 AM, Robert Hanson <[email protected]> wrote:
> >
> >
> > On Fri, Feb 13, 2009 at 2:42 AM, Christian Baerlocher
> > <[email protected]> wrote:
> >>
> >> I these cases, could you not use the unit cell faces to "close" the
> >> isosurfaces? This would give the volume per unit cell, which may be
> >> interesting for zeolites.
> >
> > The point where you do the volume calculation is way later -- the grid is
> > long gone.
> >
> >>
> >> Christian
> >>
> >>
> >>
> >> Dr. Christian Baerlocher
> >> Lab. of Crystallography
> >> ETH Zürich
> >> Wolfgang-Pauli-Strasse 10
> >> CH-8093 Zürich
> >> Email: [email protected]
> >>
> >>
> >>
> >>
> >>
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> >
> >
> >
> > --
> > Robert M. Hanson
> > Professor of Chemistry
> > St. Olaf College
> > 1520 St. Olaf Ave.
> > Northfield, MN 55057
> > http://www.stolaf.edu/people/hansonr
> > phone: 507-786-3107
> >
> >
> > If nature does not answer first what we want,
> > it is better to take what answer we get.
> >
> > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
> >
> >
> ------------------------------------------------------------------------------
> > Open Source Business Conference (OSBC), March 24-25, 2009, San Francisco,
> CA
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> Enterprise
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>
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> CA
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> SFAD
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------------------------
Open Source Business Conference (OSBC), March 24-25, 2009, San Francisco, CA
-OSBC tackles the biggest issue in open source: Open Sourcing the Enterprise
-Strategies to boost innovation and cut costs with open source participation
-Receive a $600 discount off the registration fee with the source code: SFAD
http://p.sf.net/sfu/XcvMzF8H
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