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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-06-c2-h2o 9d-mejohnphos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1799.14546903; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-naphboh2 base-reactants-naphboh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -560.842067930; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-44-ts-t3-p1 3a-iprjohnphos-44-ts-t3-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2740.57857844; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-02-ts-rxt-c1 3d-cyjohnphos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.39114536; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-06-c2-h2o 3d-cyjohnphos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2186.72810565; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-14-ts-t1-t2 2f-pcpt3-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1766.07113095; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-00-lpdoh2 9f-pcpr3-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1941.27718067; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-11-c4 3o-tbubrettphos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2361.37309727; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-52-cs-ref 3k-tbujohnphos-52-cs-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1704.36290756; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-06-c2-h2o 9g-pet3-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1494.84547804; Eh |
Results 1421-1430 of 5823 (Search time: 0.003 seconds).