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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-37-yb/3s-brettphos-37-yb-opt 3s-brettphos-37-yb-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.79945498; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-36-ts-rxt-yb/3s-brettphos-36-ts-rxt-yb-orcasp 3s-brettphos-36-ts-rxt-yb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2767.69332015; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-38-ts-yb-c1/3s-brettphos-38-ts-yb-c1-orcasp 3s-brettphos-38-ts-yb-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2767.67996421; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-35-ts-ya-c1/3s-brettphos-35-ts-ya-c1-orcasp 3s-brettphos-35-ts-ya-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2691.42307373; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-37-yb/3s-brettphos-37-yb-orcasp 3s-brettphos-37-yb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2767.71729265; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-99-lig/3s-brettphos-99-lig-orcasp 3s-brettphos-99-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1852.33373343; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-25-ts-t5-t6/3s-brettphos-25-ts-t5-t6-opt 3s-brettphos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.76532671; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-33-ts-rxt-ya/3s-brettphos-33-ts-rxt-ya-opt 3s-brettphos-33-ts-rxt-ya-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2694.47154213; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-35-ts-ya-c1/3s-brettphos-35-ts-ya-c1-opt 3s-brettphos-35-ts-ya-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2694.46347566; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-24-t5/3s-brettphos-24-t5-opt 3s-brettphos-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.78409579; Eh |
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