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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 TS-CC-from-2 | Peñas-Defrutos, Marconi N. | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | GEN | -3054.91625334; 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 | /TS-C-X-coupling TS-CI-from-2 | Peñas-Defrutos, Marconi N. | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | GEN | -3054.90364410; Eh | |||
 | 24-Nov-2022 | /Gold-III-species-and-intermediates Opt-Freq-2 | Peñas-Defrutos, Marconi N. | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | GEN | -3054.96281935; Eh | |||
 | 24-Nov-2022 | /Gold-III-species-and-intermediates Opt-Freq-2cl | Peñas-Defrutos, Marconi N. | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | GEN | -3952.49268001; Eh | |||
 | 24-Nov-2022 | /Gold-III-species-and-intermediates Opt-Freq-4Cl | Peñas-Defrutos, Marconi N. | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | GEN | -2964.39783134; Eh | |||
 | 24-Nov-2022 | /TS-C-X-coupling Displacement-TS-CI-from-4-back | Peñas-Defrutos, Marconi N. | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | GEN | -1618.11444848; 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 | /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 | /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: 0.001 seconds).