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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Sep-2021 | TS1-Pd-Alk-Sn | Peñas-Defrutos, Marconi N. | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RwB97XD | LANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN | -1766.94168396; Eh | |||
 | 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 | /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 | /TS-C-C-coupling TS-CC-from-3 | Peñas-Defrutos, Marconi N. | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | GEN | -4491.74861157; Eh | |||
 | 24-Nov-2022 | /TS-C-X-coupling TS-CI-from-3 | Peñas-Defrutos, Marconi N. | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | GEN | -4491.72957182; 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 | /TS-C-X-coupling TS-CCl-from-4Cl | Peñas-Defrutos, Marconi N. | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | GEN | -2964.34380579; Eh | |||
 | 24-Nov-2022 | /TS-C-X-coupling TS-CI-from-4 | Peñas-Defrutos, Marconi N. | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | GEN | -1618.07123970; Eh | |||
 | 8-Sep-2021 | TS2-Pd-ArF-Sn | Peñas-Defrutos, Marconi N. | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RwB97XD | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -2907.58827786; Eh |
Results 1-9 of 9 (Search time: 0.001 seconds).