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 | /3c-pipr3/3c-pipr3-19-t3/3c-pipr3-19-t3-orcasp 3c-pipr3-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1358.92060126; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-17-ts-t2-t3/3c-pipr3-17-ts-t2-t3-opt 3c-pipr3-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1612.48317576; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-16-t2-h2o/3c-pipr3-16-t2-h2o-opt 3c-pipr3-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1612.50636317; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-18-t3-boh3/3c-pipr3-18-t3-boh3-opt 3c-pipr3-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1612.50859635; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-15-t2/3c-pipr3-15-t2-opt 3c-pipr3-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1536.19472746; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-17-ts-t2-t3/3c-pipr3-17-ts-t2-t3-orcasp 3c-pipr3-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1610.82605550; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-14-ts-t1-t2/3c-pipr3-14-ts-t1-t2-orcasp 3c-pipr3-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1534.55787473; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-16-t2-h2o/3c-pipr3-16-t2-h2o-orcasp 3c-pipr3-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1610.84445312; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-18-t3-boh3/3c-pipr3-18-t3-boh3-orcasp 3c-pipr3-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1610.84720114; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-15-t2/3c-pipr3-15-t2-orcasp 3c-pipr3-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1534.58484350; Eh |
Results 4991-5000 of 5215 (Search time: 0.004 seconds).