Thermochemdatasb6014
Appearance
eX 2
File | Log File |
---|---|
Exercise 1 | |
Diene | file |
Alkene | file |
TS | file |
Products | file |
IRC | file |
Exercise 2 | |
Cyclohexadiene | file |
Dioxole | file |
TS Exo PM6 | file |
TS Exo B3LYP | file |
Product Exo B3LYP | file |
IRC Exo PM6 | file |
TS Endo PM6 | file |
TS Endo B3LYP | file |
Product Endo B3LYP | file |
IRC Endo PM6 | file |
Exercise 3 | |
o-Xylylene | file |
SO2 | file |
TS DA Exo | file |
Product DA Exo | file |
IRC DA Exo | file |
TS DA Endo | file |
Product DA Endo | file |
IRC DA Endo | file |
TS Cheletropic | file |
Product Cheletropic | file |
IRC Cheletropic | file |