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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Nov-2022 | /TS-C-C-coupling Displacement-TS-CC-from-2-Forward | Peñas-Defrutos, Marconi N. | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | GEN | -3055.02491075; Eh | |||
 | 24-Nov-2022 | /TS-C-C-coupling Displacement-TS-CC-from-2-back | Peñas-Defrutos, Marconi N. | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | GEN | -3054.96281935; Eh | |||
 | 24-Nov-2022 | /TS-C-C-coupling TS-CC-from-2Cl | Peñas-Defrutos, Marconi N. | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | GEN | -3952.43886105; Eh | |||
 | 24-Nov-2022 | /Coupling-products Opt-Freq-5 | Peñas-Defrutos, Marconi N. | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | GEN | -158.459152792; Eh | |||
 | 24-Nov-2022 | /Coupling-products Opt-Freq-AuRf2 | Peñas-Defrutos, Marconi N. | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | GEN | -3032.12296223; Eh | |||
 | 24-Nov-2022 | /Coupling-products Opt-Freq-AuCl2 | Peñas-Defrutos, Marconi N. | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | GEN | -1055.97520093; Eh | |||
 | 24-Nov-2022 | /Coupling-products Opt-Freq-AuRfI | Peñas-Defrutos, Marconi N. | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | GEN | -1595.29147371; Eh | |||
 | 24-Nov-2022 | /Coupling-products Opt-Freq-AuRfCl | Peñas-Defrutos, Marconi N. | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | GEN | -2044.05362216; Eh | |||
 | 24-Nov-2022 | /Coupling-products Opt-Freq-RfCl | Peñas-Defrutos, Marconi N. | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | GEN | -1908.41459367; Eh | |||
 | 24-Nov-2022 | /TS-C-X-coupling TS-CI-from-1 | Peñas-Defrutos, Marconi N. | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | GEN | -3054.90101942; Eh |
Results 1-10 of 28 (Search time: 0.002 seconds).