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 | /3s-brettphos/3s-brettphos-20-ts-t3-t4/3s-brettphos-20-ts-t3-t4-orcasp 3s-brettphos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2515.75760047; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-22-c5/3s-brettphos-22-c5-orcasp 3s-brettphos-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2767.74068724; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-21-t4/3s-brettphos-21-t4-orcasp 3s-brettphos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2515.79959294; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-19-t3/3s-brettphos-19-t3-orcasp 3s-brettphos-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2515.80233558; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-17-ts-t2-t3/3s-brettphos-17-ts-t2-t3-opt 3s-brettphos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.77407742; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-16-t2-h2o/3s-brettphos-16-t2-h2o-opt 3s-brettphos-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.78933605; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-18-t3-boh3/3s-brettphos-18-t3-boh3-opt 3s-brettphos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.79775920; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-15-t2/3s-brettphos-15-t2-opt 3s-brettphos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2694.47880843; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-19-t3/3s-brettphos-19-t3-opt 3s-brettphos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2518.74876902; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-17-ts-t2-t3/3s-brettphos-17-ts-t2-t3-orcasp 3s-brettphos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2767.69896765; Eh |
Results 3881-3890 of 5215 (Search time: 0.007 seconds).