From owner-chemistry@ccl.net Mon Jan  1 11:45:01 2007
From: "Mark Zottola mzottola{:}gmail.com" <owner-chemistry*server.ccl.net>
To: CCL
Subject: CCL: Intramolecular Hydrogen Bonds: AIM vs GIAO NMR
Message-Id: <-33318-061217101036-47732-o2DZuQcbvSpEAgwV5k6flQ*server.ccl.net>
X-Original-From: "Mark Zottola" <mzottola-$-gmail.com>


Sent to CCL by: "Mark Zottola" [mzottola-x-gmail.com]
Richard,

1,2 diols do NOT form intramolecular hydrogen bonded systems.  Nor do
carbohydrates.  There is a fair bit of work done by Klein and coworkers on
those sysyems.  Intermolecular hydrogen bonds are indeed quite possible.  I
regret the lack of precision in my early response.

Mark



  On 12/16/06, RICHARD JILL WOOD <rwoodphd{}msn.com> wrote:
> >
> >  Mark,
> >
> > I don't understand how one can say that carbohydrates or diols don't
> > form hydrogen bonds.
> >
> > Richard
> >
> >
> >
> >
>


From owner-chemistry@ccl.net Mon Jan  1 12:20:01 2007
From: "David M Close CLOSED]|[mail.etsu.edu" <owner-chemistry||server.ccl.net>
To: CCL
Subject: CCL:G: CPCM calculation on G98, please help
Message-Id: <-33319-061228123410-31682-NfBFt+2i+74fPpFc5UFvPQ||server.ccl.net>
X-Original-From: "David M Close" <CLOSED^^mail.etsu.edu>


Sent to CCL by: "David M Close" [CLOSED{}mail.etsu.edu]
  I am trying to do a CPCM calculation on G98.  I get the normal listing
for the first cycle with a list of warning about charges being
neglected.  This list keeps repeating and the program finally terminated
with the line  "Too many tesserae.  Increase the MxTs".  I cannot find
the keyword MxTs in the Gaussian manual, so I do not know what this
keyword controls.  Also I do not know that acceptable bounds for the
variable.

Thanks, Dave Close