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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | S0-1a_crest_conf_1 | Alegre Requena, Juan Vicente | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | 6-31+G(D) | -898.689164646; Eh | ||
 | T1-1a_crest_conf_1 | Alegre Requena, Juan Vicente | Gaussian; 16; ES64L-G16RevC.01 | UwB97XD | 6-31+G(D) | -898.637425395; Eh | ||
 | TS-T1-1a_perpend_crest_conf_1 | Alegre Requena, Juan Vicente | Gaussian; 16; ES64L-G16RevC.01 | UwB97XD | 6-31+G(D) | -898.633323221; Eh | ||
 | S0-4_crest_conf_1 | Alegre Requena, Juan Vicente | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | 6-31+G(D) | -860.613307758; Eh | ||
 | T1-4_crest_conf_1 | Alegre Requena, Juan Vicente | Gaussian; 16; ES64L-G16RevC.01 | UwB97XD | 6-31+G(D) | -860.551215584; Eh | ||
 | TS-T1-4_planar_crest_conf_1 | Alegre Requena, Juan Vicente | Gaussian; 16; ES64L-G16RevC.01 | UwB97XD | 6-31+G(D) | -860.548692226; Eh | ||
 | AQME_workflow | Alegre Requena, Juan Vicente | Gaussian; 16; EM64L-G16RevA.03 | UwB97XD | 6-31+G(D) | -0.500262173673; Eh |
Results 1-7 of 7 (Search time: 0.002 seconds).