loos
/
srDFT_G2
1
0
Fork 0
Code Issues Pull Requests Releases Wiki Activity

updated atomization energies

This commit is contained in:
Emmanuel Giner 2019-03-31 19:10:04 +02:00
parent 98ba6ac4d0
commit b056ceadc6
2 changed files with 4 additions and 4 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
Ref/Molecules/atomization_energies
View File

@ -47,8 +47,8 @@ PH3 1010.33 1012.24
S2 431.42 433.94
SO 526.33 528.72
SO2 1086.86 1091.61
Si2 431.42 433.94
Si2H6 2626.11 2631.54
Si2 307.15 307.75
Si2H6 2240.41 2240.54
SiH2_1A1 642.99 643.11
SiH2_3B1 557.56 555.72
SiH3 954.30 953.44

4
Ref/atomization_energies
View File

@ -47,8 +47,8 @@ PH3 1010.33 1012.24
S2 431.42 433.94
SO 526.33 528.72
SO2 1086.86 1091.61
Si2 431.42 433.94
Si2H6 2626.11 2631.54
Si2 307.15 307.75
Si2H6 2240.41 2240.54
SiH2_1A1 642.99 643.11
SiH2_3B1 557.56 555.72
SiH3 954.30 953.44