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Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
![]() | /template-3/ts2/OAc 1_ts2_oac | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN | -3195.54315370; Eh | ||
![]() | /template-3/ts2/OAc 5_ts2_oac | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN | -3195.54163038; Eh | ||
![]() | /template-3/ts2/OAc 6_ts2_oac | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | - | - | -3195.54742482; Eh | ||
![]() | /template-3/ts2/OAc 13_ts2_oac | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN | -3195.54336059; Eh | ||
![]() | /template-3/ts2/OAc 17_ts2_oac | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN | -3195.54383546; Eh |
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