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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-00-lpdoh2/3s-brettphos-00-lpdoh2-opt 3s-brettphos-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -4267.25396337; Eh | |||
 | 26-Jan-2025 | /3r-xphos/3r-xphos-38-ts-yb-c1/3r-xphos-38-ts-yb-c1-opt 3r-xphos-38-ts-yb-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2542.13127169; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-01-rxt/3s-brettphos-01-rxt-opt 3s-brettphos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2694.48698226; Eh | |||
 | 26-Jan-2025 | /3r-xphos/3r-xphos-37-yb/3r-xphos-37-yb-opt 3r-xphos-37-yb-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2542.17105570; Eh | |||
 | 26-Jan-2025 | /3r-xphos/3r-xphos-99-lig/3r-xphos-99-lig-opt 3r-xphos-99-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1625.60343647; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-00-lpdoh2/3s-brettphos-00-lpdoh2-orcasp 3s-brettphos-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -4262.29146248; Eh | |||
 | 26-Jan-2025 | /3r-xphos/3r-xphos-38-ts-yb-c1/3r-xphos-38-ts-yb-c1-orcasp 3r-xphos-38-ts-yb-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2539.23808746; Eh | |||
 | 26-Jan-2025 | /3r-xphos/3r-xphos-37-yb/3r-xphos-37-yb-orcasp 3r-xphos-37-yb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2539.27432639; Eh | |||
 | 26-Jan-2025 | /3r-xphos/3r-xphos-99-lig/3r-xphos-99-lig-orcasp 3r-xphos-99-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1623.88608183; Eh | |||
 | 26-Jan-2025 | /3r-xphos/3r-xphos-35-ts-ya-c1/3r-xphos-35-ts-ya-c1-opt 3r-xphos-35-ts-ya-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2465.83051571; Eh |
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