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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3p-sphos/3p-sphos-05-c2/3p-sphos-05-c2-orcasp 3p-sphos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2338.92217038; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-02-ts-rxt-c1/3p-sphos-02-ts-rxt-c1-opt 3p-sphos-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2341.36311658; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-00-lpdoh2/3p-sphos-00-lpdoh2-opt 3p-sphos-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3561.06561494; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-99-lig/3o-davephos-99-lig-opt 3o-davephos-99-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1406.21101664; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-01-rxt/3p-sphos-01-rxt-opt 3p-sphos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2341.39226142; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-25-ts-t5-t6/3o-davephos-25-ts-t5-t6-orcasp 3o-davephos-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2320.18974233; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-02-ts-rxt-c1/3p-sphos-02-ts-rxt-c1-orcasp 3p-sphos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2338.84572037; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-00-lpdoh2/3p-sphos-00-lpdoh2-orcasp 3p-sphos-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3557.13422242; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-99-lig/3o-davephos-99-lig-orcasp 3o-davephos-99-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1404.82621954; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-01-rxt/3p-sphos-01-rxt-orcasp 3p-sphos-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2338.87905600; Eh |
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