Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
21-Jul-2017 | TS(5-8)h | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31G*; SDD | -1137.98560501; Eh | ||||
21-Jul-2017 | TS(5-6)h | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31G*; SDD | -1137.98216559; Eh | ||||
21-Jul-2017 | TS(4-7)h | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RM06 | 6-31G*; SDD | -1137.98774789; Eh | ||||
21-Jul-2017 | TS(4-12)h | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31G*; SDD | -1137.99042944; Eh | ||||
21-Jul-2017 | TS(2-4)g | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RM06 | 6-31G*; SDD | -1137.96264133; Eh | ||||
21-Jul-2017 | TS(2-4)h | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RM06 | 6-31G*; SDD | -1137.96864593; Eh | ||||
21-Jul-2017 | TS(4-13)h | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RM06 | 6-31G*; SDD | -1137.98073062; Eh | ||||
21-Jul-2017 | TS(12-5)h | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31G*; SDD | -1137.99045733; Eh | ||||
21-Jul-2017 | TS(7-10)h | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RM06 | 6-31G*; SDD | -1137.97965738; Eh | ||||
21-Jul-2017 | TS(6-9)h | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31G*; SDD | -1137.98765919; Eh |
Results 11-20 of 72 (Search time: 0.001 seconds).