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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-00-lpdoh2/3t-tbujohnphos-00-lpdoh2-opt 3t-tbujohnphos-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2794.63887733; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-01-rxt/3t-tbujohnphos-01-rxt-opt 3t-tbujohnphos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1958.17956001; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-03-c1/3t-tbujohnphos-03-c1-opt 3t-tbujohnphos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1958.16075989; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-02-ts-rxt-c1/3t-tbujohnphos-02-ts-rxt-c1-orcasp 3t-tbujohnphos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1956.01360804; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-00-lpdoh2/3t-tbujohnphos-00-lpdoh2-orcasp 3t-tbujohnphos-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2791.46317482; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-01-rxt/3t-tbujohnphos-01-rxt-orcasp 3t-tbujohnphos-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1956.04335911; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-03-c1/3t-tbujohnphos-03-c1-orcasp 3t-tbujohnphos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1956.00983777; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-38-ts-yb-c1/3s-brettphos-38-ts-yb-c1-opt 3s-brettphos-38-ts-yb-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.76040487; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-36-ts-rxt-yb/3s-brettphos-36-ts-rxt-yb-opt 3s-brettphos-36-ts-rxt-yb-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.76737913; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-99-lig/3s-brettphos-99-lig-opt 3s-brettphos-99-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1854.23313595; Eh |
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