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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Aug-2024 | M-6-TZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -3055.0220888; Eh | |||
 | 12-Aug-2024 | M-13-DZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE | 6-31+G(D) GEN | -3514.75088033; Eh | |||
 | 12-Aug-2024 | M-9trans-DZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D) GEN | -2435.45755255; Eh | |||
 | 12-Aug-2024 | M-9cis-DZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D) GEN | -2435.45573786; Eh | |||
 | 12-Aug-2024 | M-9trans-TZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -2435.7903822; Eh | |||
 | 12-Aug-2024 | PPN-Cl-TZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -2585.9021412; Eh | |||
 | 12-Aug-2024 | M-3-DZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D) GEN | -2895.68424727; Eh | |||
 | 12-Aug-2024 | M-3-TZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -2896.0497521; Eh | |||
 | 12-Aug-2024 | CO2-DZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D) GEN | -188.387489930; Eh | |||
 | 12-Aug-2024 | CO2-TZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -188.4422492; Eh |
Results 41-50 of 69 (Search time: 0.001 seconds).