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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3x-tbubrettphos/3x-tbubrettphos-63-t3ob/3x-tbubrettphos-63-t3ob-opt 3x-tbubrettphos-63-t3ob-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2539.92012390; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6cne16-et2/3h-ptbu3-6cne16-et2-opt 3h_ptbu3_6cne16_et2 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1980.13632774; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-48-c-ref/3e-pcy3-48-c-ref-opt 3e-pcy3-48-c-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1324.80404603; Eh | |||
 | 5-May-2025 | /3m-cyjohnphos/3m-cyjohnphos-6cne19-et3-bpinoh/3m-cyjohnphos-6cne19-et3-bpinoh-orcasp 3m_cyjohnphos_6cne19_et3_bpinoh | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2512.57539587; Eh | |||
 | 26-Jan-2025 | /3aa-adbrettphos/3aa-adbrettphos-10-ts-c3-c4/3aa-adbrettphos-10-ts-c3-c4-orcasp 3aa-adbrettphos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2824.42213509; Eh | |||
 | 26-Jan-2025 | /3x-tbubrettphos/3x-tbubrettphos-11-c4/3x-tbubrettphos-11-c4-orcasp 3x-tbubrettphos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2361.37309727; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6ome01-rxt/3e-pcy3-6ome01-rxt-orcasp 3e_pcy3_6ome01_rxt | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1997.88810366; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-09-c3/3s-brettphos-09-c3-orcasp 3s-brettphos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2515.80407246; Eh | |||
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-79-t5ob-2h2o/3y-me4tbuxphos-79-t5ob-2h2o-opt 3y-me4tbuxphos-79-t5ob-2h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2235.66805512; Eh | |||
 | 26-Jan-2025 | /3j-iprjohnphos/3j-iprjohnphos-38-ts-yb-c1/3j-iprjohnphos-38-ts-yb-c1-opt 3j-iprjohnphos-38-ts-yb-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1956.00548013; Eh |
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