thiol data, a block of data for 10 thiol species

[Tom Meuzelaar]

[admin note: this post represents recovered forum content after a critical hard drive failure - it is not in it's original form]

 

[admin note: the data provided below (by Greg Anderson) was not recovered.]

 

>>>>>>>>>>

Nov 19 2007, 09:43 AM

Here is a zip file containing

 

1. a block of data for 10 thiol compounds in GWB format (thiolsGWB.txt)

2. a pdf copy of the article with the original data

3. the supcrt92 output file which has the calculated logK values (THIOLS10.OUT)

If I insert this block of data into thermo.com.v8.R6+.dat in the "redox couples" section, and change the line "183 redox couples" to "193 redox couples", program rxn works fine, so I assume the other programs will work too.

 

I did not insert all the "delG0f", delH0f", "S0PrTr" lines, but these are in the supcrt output file so you can do this if you wish.

 

P.S. file thiolsGWB.txt with the data also has the reference at the end of the file. This should be deleted and (optionally) added to the references at the end of thermo.com.v8.r6+.dat, before inserting the data into the "redox couples" section.

Attached File(s)

thiols.zip ( 228.28k ) Number of downloads: 11

 

>>>>>>>>>>

Nov 19 2007, 02:54 PM

Greg:

 

Thank you for the contribution!

 

Regards,

 

Tom Meuzelaar

RockWare, Inc.