CCL:G: How To Specify DMF Solvent In Gaussian Input

On Tue, Nov 29, 2011 at 2:41 AM, P.D.Jarowski-#-surrey.ac.uk <owner-chemistry^-^ccl.net> wrote:

Hi,

This answer may be annoying, but you could try acetonitrile (SCRF=(PCM,CH3CN)). I have found that it is a good substitute for DMF. Else, you will need to collect the solvent parameters for DMF from another program or from the literature.

Best of Luck

Peter

On 11/28/11 6:49 PM, "Vel Murugan G murugan4chemistry^^gmail.com" <owner-chemistry_._http://ccl.net" target="_blank">ccl.net> wrote:

Sent to CCL by: "Vel Murugan G" [murugan4chemistry,+,gmail.com]
Dear CClers
I need to run a PCM calculation with dimethylformamide DMF) as the solvent. I was trying to specify DMF using the PCM model in Gaussian which is not mentioned in the calculation part of the Gauss View. Does anyone know how to specify DMF solvent in Gaussian input? Kindly help me.

Thanks in advance

With Regards
VELMURUGAN G

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Hi, 
 
This answer may be annoying, but you could try acetonitrile (SCRF=(PCM,CH3CN)). I have found that it is a good substitute for DMF. Else, you will need to collect the solvent parameters for DMF from another program or from the literature. 
 
Best of Luck 
 
Peter 
 
On 11/28/11 6:49 PM, "Vel Murugan G murugan4chemistry^^gmail.com" <<a href="" href="http://ccl.net" target="_blank">ccl.net">owner-chemistry_._ccl.net</a>> wrote: 
 
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Sent to CCL by: "Vel Murugan G" [murugan4chemistry,+,http://gmail.com" target="_blank">gmail.com] 
Dear CClers 
        I need to run a PCM calculation with dimethylformamide DMF) as the solvent. I was trying to specify DMF using the PCM model in Gaussian which is not mentioned in the calculation part of the Gauss View. Does anyone know how to specify DMF solvent in Gaussian input? Kindly help me. 
 
Thanks in advance 
 
With Regards 
VELMURUGAN G 
 
 
 
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