No plans for that.
On Tue, Aug 31, 2010 at 11:48 AM, Pshemak Maslak <[email protected]> wrote:
> On 8/30/2010 5:21 PM, Robert Hanson wrote:
>
> ps. 12.0 adds dsp3 and d2sp3
>
> 2010/8/30 Angel Herráez <[email protected]>
>
>> On 30 Aug 2010 at 9:26, Pshemak Maslak wrote:
>> > Is there a way to display hybrid orbitals in Jmol? I am thinking at
>> > least about sp3, sp2 and sp hybrids, or better any sp^m hybrids
>> > (variable m).
>>
>> Yes. Find under "lcaoCartoon" command
>>
>>
>
> These are cartoons (preset shapes).
>
> I was thinking about "real" display analogous to "atomicOrbital" where the
> lobes are isosurfaces calculated based on actual mixtures of s and p for a
> given atom. For sample, in addition to "standard" cases, instances such as
> sp^2.12 for the lone pair in ammonia or sp^2.33 for the lone pairs in water
> that are calculated based on bond angles (and effective charge) of the atom
> with lone pairs.
>
> PM
>
>
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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
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