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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | /template-3/ts2/OAc 6_ts2_oac | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | - | - | -3195.54742482; Eh | ||
 | /template-3/ts4 IRC_reverse_FFINIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | - | - | -3403.15896107; Eh | ||
 | /template-3/ts4 IRC_forward_FFINIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | - | - | -3403.20024267; Eh | ||
 | /template-3/ts4 IRC_reverse_FBONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | - | - | -3403.15896107; Eh | ||
 | /template-3/ts4 IRC_forward_FBONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | - | - | -3403.17966856; Eh | ||
 | /template-3/int1 14_FFIAOA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | DEF2TZVPP | -2498.1433152; Eh | ||
 | /template-3/int2 9_FBINIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN | -3058.03037330; Eh | ||
 | /template-3/no_CN ts1_noCN_FFONOA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN | -3057.99329800; Eh | ||
 | /sm template-2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | DEF2TZVPP | -2030.7784887; Eh | ||
 | /sm template-1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | DEF2TZVPP | -1952.22174; Eh | ||
 | /template-1/ts4 IRC_forward | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | - | - | -3126.56991382; Eh | ||
 | /template-1/ts4 IRC_reverse | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | - | - | -3126.54669447; Eh |
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