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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /9g-pet3/9g-pet3-01-rxt/9g-pet3-01-rxt-opt 9g-pet3-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1418.49575336; Eh | |||
 | 26-Jan-2025 | /9g-pet3/9g-pet3-03-c1/9g-pet3-03-c1-opt 9g-pet3-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1418.49757605; Eh | |||
 | 26-Jan-2025 | /9g-pet3/9g-pet3-05-c2/9g-pet3-05-c2-opt 9g-pet3-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1418.53662900; Eh | |||
 | 26-Jan-2025 | /9g-pet3/9g-pet3-02-ts-rxt-c1/9g-pet3-02-ts-rxt-c1-orcasp 9g-pet3-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1417.03316785; Eh | |||
 | 26-Jan-2025 | /9g-pet3/9g-pet3-04-ts-c1-c2/9g-pet3-04-ts-c1-c2-orcasp 9g-pet3-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1417.03772133; Eh | |||
 | 26-Jan-2025 | /9g-pet3/9g-pet3-01-rxt/9g-pet3-01-rxt-orcasp 9g-pet3-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1417.06074108; Eh | |||
 | 26-Jan-2025 | /9g-pet3/9g-pet3-03-c1/9g-pet3-03-c1-orcasp 9g-pet3-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1417.04891820; Eh | |||
 | 26-Jan-2025 | /9f-pcpr3/9f-pcpr3-44-ts-t3-p1/9f-pcpr3-44-ts-t3-p1-opt 9f-pcpr3-44-ts-t3-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2049.06766543; Eh | |||
 | 26-Jan-2025 | /9f-pcpr3/9f-pcpr3-45-p1-h2o/9f-pcpr3-45-p1-h2o-opt 9f-pcpr3-45-p1-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2049.11468599; Eh | |||
 | 26-Jan-2025 | /9g-pet3/9g-pet3-00-lpdoh2/9g-pet3-00-lpdoh2-opt 9g-pet3-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1715.28232567; Eh |
Results 2861-2870 of 5215 (Search time: 0.002 seconds).