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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2c-pph3/2c-pph3-11-c4 2c-pph3-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1699.18862140; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-30-ts-t2-xb 3o-tbubrettphos-30-ts-t2-xb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2537.05432104; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-14-ts-t1-t2 2e-pipr3-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1534.55787473; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-00-lpdoh2 9a-cbujohnphos-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2786.66578599; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-84-lig 3c-phdavephos-84-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1397.71452033; Eh | |||
 | 7-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-02-ts-rxt-c1 3r-adbrettphos-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3003.54340697; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-pd3oac6 base-reactants-pd3oac6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1752.41098526; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-54-cw-ref 2g-pcy3-54-cw-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1401.14049506; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-58-c2alt 2g-pcy3-58-c2alt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1885.76425965; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-01-rxt 2c-pph3-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1874.92461123; Eh |
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