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6.4.1
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369 Commits

Author SHA1 Message Date
ian
c12ebbd6ea Add new EOS for ammonia 2019-11-06 20:18:05 -07:00
ian
ea0c03b829 Add updated EOS of Ortiz-Vega 2019-10-17 19:06:40 -06:00
Ian Bell
036f3206f5 Add some convenience aliases for normal alkanes 2019-06-29 15:53:16 -06:00
Ian Bell
02d2da7971 Tidy up whitespace according to python 3 JSON module 2019-01-27 15:55:32 -07:00
Ian Bell
18526e4056 Update EOS for hexane, octane, pentane 2019-01-27 15:53:22 -07:00
Ian Bell
978074b9bf Fix reference state for MD4M 2019-01-24 14:46:29 -07:00
Ian Bell
42fe042d57 Add new EOS for D5 of Thol et al. 2019-01-24 14:45:26 -07:00
Ian Bell
db8213dc46 Fix limits for MD4M 2019-01-22 21:08:56 -07:00
Ian Bell
cf8b323a77 Fix ancillaries and HS anchor for heavy water 2019-01-21 20:55:26 -07:00
Ian Bell
7eda0d237c Add more HS anchors 2019-01-21 20:45:41 -07:00
Ian Bell
e25497a856 Update some HS anchors 2019-01-21 20:11:51 -07:00
Ian Bell
607c147597 Update EOS for MD4M 2019-01-19 21:32:53 -07:00
Ian Bell
d4c7b784ca Update EOS for Neon and MD3M 2019-01-19 21:32:53 -07:00
Ian Bell
48bd529a1c Update the ancillaries 2019-01-19 21:32:53 -07:00
Ian Bell
cfc85ada92 Added updated EOS for HCl from Thol 2019-01-14 20:32:26 -07:00
Ian Bell
bce077883e Added new EOS for MD2M and updated bibtex ref for MDM 2019-01-13 22:12:21 -07:00
Ian Bell
b5c79169b5 Add R-1234zf EOS from Akasaka 2019-01-12 18:09:09 -07:00
Ian Bell
b0b9fe47be Updated EOS from Ryo Akasaka for R-1234ze(Z) 2019-01-10 20:44:24 -07:00
Ian Bell
c8cdb0243a Update the EOS for Heavy Water to new one of Herrig et al. 2018-10-26 10:15:39 +02:00
Ian Bell
2eeeaf5958 Merge pull request #1693 from wandadars/InChi_standard_keys_added 
InChi standard keys added
 2018-05-12 09:46:14 -06:00
Chris Neal
ba322db9f9 Added standard InChi key & string for trans-2-Butene 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/62695#section=Names-and-Identifiers
 2018-05-11 13:55:15 -04:00
Chris Neal
cd906dac15 Added standard InChi key & string for p-Xylene 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/7809#section=Names-and-Identifiers
 2018-05-11 13:54:04 -04:00
Chris Neal
2f9152a586 Added standard InChi key & string for o-Xylene 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/7237#section=Names-and-Identifiers
 2018-05-11 13:52:51 -04:00
Chris Neal
724e877353 Added standard InChi key & string for n-Undecane 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/14257#section=Names-and-Identifiers
 2018-05-11 13:51:35 -04:00
Chris Neal
853ad9db20 Added standard InChi key & string for n-Propane 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/6334#section=Names-and-Identifiers
 2018-05-11 13:50:22 -04:00
Chris Neal
2f501c9caa Added standard InChi key & string for n-Pentane 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/8003#section=Names-and-Identifiers
 2018-05-11 13:48:45 -04:00
Chris Neal
9d5f580766 Added standard InChi key & string for n-Octane 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/356#section=Names-and-Identifiers
 2018-05-11 13:47:27 -04:00
Chris Neal
6225011f90 Added standard InChi key & string for n-Nonane 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/8141#section=Names-and-Identifiers
 2018-05-11 13:46:18 -04:00
Chris Neal
c8531555be Added standard InChi key & string for n-Hexane 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/8058#section=Names-and-Identifiers
 2018-05-11 13:44:58 -04:00
Chris Neal
9659e1ad95 Added standard InChi key & string for n-Heptane 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/8900#section=Names-and-Identifiers
 2018-05-11 13:43:41 -04:00
Chris Neal
65851846be Added standard InChi key & string for n-Dodecane 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/8182#section=Names-and-Identifiers
 2018-05-11 13:42:29 -04:00
Chris Neal
64e2bb6a32 Added standard InChi key & string for n-Decane 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/15600#section=Names-and-Identifiers
 2018-05-11 13:40:58 -04:00
Chris Neal
1952278cc8 Added standard InChi key & string for n-Butane 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/7843#section=Names-and-Identifiers
 2018-05-11 13:39:40 -04:00
Chris Neal
730bd28a83 Added standard InChi key & string for m-Xylene 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/7929#section=Names-and-Identifiers
 2018-05-11 13:38:23 -04:00
Chris Neal
a16f95341c Added standard InChi key & string for cis-2-Butene 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/5287573#section=Canonical-SMILES
 2018-05-11 13:37:00 -04:00
Chris Neal
d307909d26 Added standard InChi key & string for Xenon 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/23991#section=Names-and-Identifiers
 2018-05-11 13:35:40 -04:00
Chris Neal
27dce4628e Added standard InChi key & string for Water 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/962#section=Names-and-Identifiers
 2018-05-11 13:32:05 -04:00
Chris Neal
fdd636a595 Added standard InChi key & string for Toluene 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/1140#section=Names-and-Identifiers
 2018-05-11 13:30:40 -04:00
Chris Neal
1885aa64db Added standard InChi key & string for Sulfur Hexafluoride 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/17358#section=Names-and-Identifiers
 2018-05-11 13:29:18 -04:00
Chris Neal
5bbab5e676 Added standard InChi key & string for Sulfur Dioxide 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/1119#section=Names-and-Identifiers
 2018-05-11 13:27:55 -04:00
Chris Neal
8eadf4ee4b Added standard InChi key & string for RC318 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/8263#section=Names-and-Identifiers
 2018-05-11 13:25:47 -04:00
Chris Neal
01e029de9b Added standard InChi key & string for R41 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/11638#section=Names-and-Identifiers
 2018-05-11 13:23:08 -04:00
Chris Neal
e8162946a0 Added standard InChi key & string for R40 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/6327#section=Names-and-Identifiers
 2018-05-11 13:15:59 -04:00
Chris Neal
d24d855df1 Added standard InChi key & string for R365MFC 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/67884#section=Names-and-Identifiers
 2018-05-11 13:14:50 -04:00
Chris Neal
f9a11aac4a Added standard InChi key & string for R32 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/6345#section=Names-and-Identifiers
 2018-05-11 13:10:23 -04:00
Chris Neal
93b02e8501 Added standard InChi key & string for R245fa 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/68030#section=Names-and-Identifiers
 2018-05-11 13:08:59 -04:00
Chris Neal
d8661dff77 Added standard InChi key & string for R245ca 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/69624#section=Names-and-Identifiers
 2018-05-11 13:05:59 -04:00
Chris Neal
ddbcf9f99c Added standard InChi key & string for R236FA 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/12722#section=Names-and-Identifiers
 2018-05-11 13:04:36 -04:00
Chris Neal
2adcdade82 Added standard InChi key & string for R236EA 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/79009#section=Names-and-Identifiers
 2018-05-11 12:59:57 -04:00
Chris Neal
a5b843bb08 Added standard InChi key & string for R23 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/6373#section=Names-and-Identifiers
 2018-05-11 12:58:43 -04:00