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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Mar-2022 | TS3-4a | Solé-Daura, Albert | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RwB97XD | LANL2DZ 6-31G(D,P) GENECP | -1890.23473587; Eh | |||
 | 20-May-2022 | Transition_state_–_TS11 | Habets, Thomas | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | 6-311++G(D,P) | -1100.92377227; Eh | |||
 | 20-May-2022 | Transition_state_–_TS5 | Habets, Thomas | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | 6-311++G(D,P) | -867.253321669; Eh | |||
 | 20-May-2022 | Transition_state_–_TS3 | Habets, Thomas | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | 6-311++G(D,P) | -867.263348827; Eh | |||
 | 20-May-2022 | Transition_state_–_TS4 | Habets, Thomas | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | 6-311++G(D,P) | -867.258409831; 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-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-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-CI-from-2 | Peñas-Defrutos, Marconi N. | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | GEN | -3054.90364410; Eh |
Results 21-30 of 176 (Search time: 0.002 seconds).