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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
21-Jul-2017 | TS(5-8)f | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31G*; LANL2DZ; SDD | -1266.02221553; Eh | ||||
21-Jul-2017 | TS(4-7)f | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31G*; LANL2DZ; SDD | -1266.01528065; Eh | ||||
21-Jul-2017 | TS(5-6)f | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31G*; LANL2DZ; SDD | -1266.01591220; Eh | ||||
21-Jul-2017 | TS(2-4)f | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31G*; LANL2DZ; SDD | -1266.01289310; Eh | ||||
21-Jul-2017 | TS(4-5)f | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31G*; LANL2DZ; SDD | -1266.02710392; Eh | ||||
21-Jul-2017 | TS(4c-4ce) | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31G*; LANL2DZ; SDD | -1266.02993973; Eh | ||||
21-Jul-2017 | TS(5f-5d) | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31G*; LANL2DZ; SDD | -1266.01788115; Eh | ||||
21-Jul-2017 | TS(4ce-4e) | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31G*; LANL2DZ; SDD | -1266.03083113; Eh | ||||
21-Jul-2017 | TS(4d-4df) | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31G*; LANL2DZ; SDD | -1266.02819270; Eh | ||||
21-Jul-2017 | TS(4c-4d) | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31G*; LANL2DZ; SDD | -1266.01410786; Eh |
Results 21-30 of 72 (Search time: 0.002 seconds).