Re: QSAR - conformation vs conformer

Phil,

It is generally accepted that specific spatial arrangement of atoms, i.e. a
point in a multidimensional conformational space (CS), should be called a
conformation. The term "conformer" refers to real substance and means a set
of conformationally similar relatively stable molecules, i.e. a set of
points in the vicinity of local energy minimum in CS.

Sincerely,
Andrei Khlebnikov

mailto:aikhl__nm.ru
http://aikhl.nm.ru/eindex.html

----------
> Îò: Hammond, Phil <phil.hammond _ targacept.com>
> Êîìó: qsar_society * accelrys.com
> Òåìà: QSAR - conformation vs conformer
> Äàòà: 17 ÿíâàðÿ 2004 ã. 2:29
>
> NB: Unless you reset the To: line, your reply goes to the entire list
> ---
>
> Hi all,
>
> I wonder if anyone has favorite definitions for conformation and
> conformer that they might be willing to share. There is some discussion
in
> our group with regards to which should be used for a single, specific
> spatial arrangement of the atoms of a compound.
>
> For example " The lowest energy conformation was found to be..." or "The
> conformer showing the lowest energy was found to be..."
>
> Any insight would be appreicated. Is there a standard that is now
> recommended in publications?
>
> Phil Hammond
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Received on 2004-01-17 - 00:21 GMT