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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-34-ya/3s-brettphos-34-ya-opt 3s-brettphos-34-ya-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2694.48469500; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-33-ts-rxt-ya/3s-brettphos-33-ts-rxt-ya-orcasp 3s-brettphos-33-ts-rxt-ya-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2691.43989935; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-25-ts-t5-t6/3s-brettphos-25-ts-t5-t6-orcasp 3s-brettphos-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2767.68362240; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-34-ya/3s-brettphos-34-ya-orcasp 3s-brettphos-34-ya-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2691.45159965; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-24-t5/3s-brettphos-24-t5-orcasp 3s-brettphos-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2767.71245764; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-23-ts-c5-c6/3s-brettphos-23-ts-c5-c6-opt 3s-brettphos-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.76844349; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-20-ts-t3-t4/3s-brettphos-20-ts-t3-t4-opt 3s-brettphos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2518.70540069; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-22-c5/3s-brettphos-22-c5-opt 3s-brettphos-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.81113771; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-21-t4/3s-brettphos-21-t4-opt 3s-brettphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2518.74182936; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-23-ts-c5-c6/3s-brettphos-23-ts-c5-c6-orcasp 3s-brettphos-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2767.68297482; Eh |
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