Subject: Re: CCL:QM MD

From: "Dr. Heinz Schiffer" <[email-masked]>
Date: Tue, 27 May 1997 15:29:12 +0200

Emadeddin Tajkhorshid wrote:
> 
> Dear all
> 
> I am looking for any info. about quantom chemical molecular dynamics. Any
> program, web site and ....
> 
> Thanx

Hi Emaheddin,
look at

  http://www.mpi-stuttgart.mpg.de/docs/frames.html

and see, e.g.

	A. Bifone et al.
	Energy Storage in the Primary Photoproduct of Vision
	J. Phys. Chem. B, 101 (1997) 2954-2958

	F. Buda et al.
	Charge localization and dynamics in rhodopsin
	Phys. Rev. Lett. 77 (1996) 4474-4477

	D. E. Sagnella et al.
	Ab initio molecular dynamics study of proton transfer
	in a polyglycine analog of the ion channel gramicidin A
	Biophys. J. 71 (1996) 1172-1178

	Juerg Hutter et al.
	Nonempirical Calculations of a Hydrated RNA Duplex
	J. Am. Chem. Soc. 118 (1996) 8710-8712

	M. Marchi et al.
	A first principles investigation of the structure
	of a bacteriochlorophyll crystal
	J. Am. Chem. Soc. 118 (1996) 7847-7848

	E. J. Meijer et al.
	A density-functional study of the intermolecular
	interactions of benzene
	J. Chem. Phys. 105 (1996) 8685

Ciao,
Heinz

-- 
Dr. Heinz Schiffer		Phone   ++49-69-305-2330
Hoechst CR&T			Fax     ++49-69-305-81162
Scientific Computing, G864	Email   [email-masked]
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