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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(5i-5k) | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31G*; SDD | -1214.18744554; Eh | |||
 | 21-Jul-2017 | Int3a | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G*; SDD | -1253.49738032; Eh | |||
 | 21-Jul-2017 | TS(2-4)c | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31G*; LANL2DZ; SDD | -1266.01129874; 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(4a-4ab) | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31G*; SDD | -1253.48191446; Eh | |||
 | 21-Jul-2017 | TS(4-7)b | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31G*; SDD | -1253.47715378; Eh | |||
 | 21-Jul-2017 | Int4j | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G*; SDD | -1214.20302088; Eh | |||
 | 21-Jul-2017 | 2a | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G* | -348.677777233; Eh | |||
 | 21-Jul-2017 | TS(5-8)i | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31G*; SDD | -1214.20071358; Eh | |||
 | 21-Jul-2017 | Int7c | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G*; LANL2DZ; SDD | -1266.07421427; Eh |
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