Subject: CCL:Summary: Clusters containing octahedral Ti

From: <[email-masked]>
Date: Fri, 12 Apr 1996 13:15:30 +0000 (WE)

Dear CCL'ers,

        A while back I asked this question:

	I am trying to model the interactions of intercalated molecules

	in lamellar phosphates of Ti. I am looking for molecular mechanics

        parameters (van der Waals parameters at least) for this compounds.  

        Does anybody know where I could obtain these parameters or

	a method to calculate them ?

        I had these two answers, thanks a lot for spent some of your

	time in answering my question.

From:	IN%"[email-masked]"  "Thomas Guerlin"

Electron energy Loss near edge Structures at Oxygen K edges of Titanium IV
oxygen compounds R.Brydson H.Sauer W.Engel F.Hofer, Phys Cond Matt 4 3429 (1992)

Electron Energy Loss near Edge Structure
X. Weng Dissertation at arizone State university

Xray Absorption of transition metal oxides
F.M.F. de Groot Proefshrift University of Nijmeng

X-ray absorption and dichroism of transition metals and their compopunds
FMF de Groot, J of Electron Spectroscopy and Relat Phenomena 67 529 (1994)

From:	IN%"[email-masked]"  "Igor V. Pletnev"  

Hi, Miguel,

There was a paper by Peter Comba on mol. mech. for (octahedral naturally)
Ti(IV) diketonates:

Inorg Chem 1994, 33, 3396-3400

Best wishes,
Igor

________________________________________________________________________

        Miguel A. Salvado
        Dpto. Quimica Fisica y Analitica
        Universidad de Oviedo
	E-mail: [email-masked]
________________________________________________________________________