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-09-c3/3s-brettphos-09-c3-orcasp 3s-brettphos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2515.80407246; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-02-ts-rxt-c1/3s-brettphos-02-ts-rxt-c1-opt 3s-brettphos-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2694.45317037; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-04-ts-c1-c2/3s-brettphos-04-ts-c1-c2-opt 3s-brettphos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2694.45948610; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-03-c1/3s-brettphos-03-c1-opt 3s-brettphos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2694.46187182; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-05-c2/3s-brettphos-05-c2-opt 3s-brettphos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2694.51999066; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-02-ts-rxt-c1/3s-brettphos-02-ts-rxt-c1-orcasp 3s-brettphos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2691.42294972; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-04-ts-c1-c2/3s-brettphos-04-ts-c1-c2-orcasp 3s-brettphos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2691.41788400; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-01-rxt/3s-brettphos-01-rxt-orcasp 3s-brettphos-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2691.45653253; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-05-c2/3s-brettphos-05-c2-orcasp 3s-brettphos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2691.49666608; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-03-c1/3s-brettphos-03-c1-orcasp 3s-brettphos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2691.43039268; Eh |
Results 3911-3920 of 5215 (Search time: 0.005 seconds).