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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Aug-2024 | TS6-7-TZ-2-butanol | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -3515.2344044; Eh | |||
 | 12-Aug-2024 | PPN-carbonate-DZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D) GEN | -3083.51100372; Eh | |||
 | 12-Aug-2024 | PPN-carbonate-TZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -3083.9557199; Eh | |||
 | 12-Aug-2024 | M-7_2-DZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D) GEN | -4012.73858989; Eh | |||
 | 12-Aug-2024 | M-7_2-TZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -4013.3430211; Eh | |||
 | 12-Aug-2024 | TS6-7-DZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBE1PBE | 6-31+G(D) GEN | -3514.74017038; Eh | |||
 | 12-Aug-2024 | TS6-7-TZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -3515.2331012; Eh | |||
 | 12-Aug-2024 | M-6-DZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D) GEN | -3054.56033335; Eh | |||
 | 12-Aug-2024 | M-13-TZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -3515.243495; Eh | |||
 | 12-Aug-2024 | M-7-TZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -3515.2718656; Eh |
Results 31-40 of 69 (Search time: 0.001 seconds).