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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Aug-2024 | TS5trans-12-TZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -3394.0797547; Eh | |||
 | 12-Aug-2024 | TS5trans-12-DZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RPBE1PBE | 6-31+G(D) GEN | -3393.59839955; Eh | |||
 | 12-Aug-2024 | M-5trans-TZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -3205.6652775; Eh | |||
 | 12-Aug-2024 | M-12-DZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D) GEN | -3393.63728065; Eh | |||
 | 12-Aug-2024 | M-10cis-DZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D) GEN | -2745.00540038; Eh | |||
 | 12-Aug-2024 | TS6trans-7-TZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -4013.2899239; Eh | |||
 | 12-Aug-2024 | TS6trans-7-DZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RPBE1PBE | 6-31+G(D) GEN | -4012.68448377; Eh | |||
 | 12-Aug-2024 | M-10cis-TZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -2745.4034491; Eh | |||
 | 12-Aug-2024 | M-11-DZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D) GEN | -2745.00179867; Eh | |||
 | 12-Aug-2024 | M-7-DZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D) GEN | -3514.77836751; Eh |
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- 69 RPBE1PBE