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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-24-t5 3k-tbujohnphos-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2034.47525680; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-08-c3-boh3 9h-pme3-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1377.15574701; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-45-p1-h2o 3a-iprjohnphos-45-p1-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2740.62134624; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-02-ts-rxt-c1 3c-phdavephos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2236.80969611; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-12-ts-rxt-t1 3b-phjohnphos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2103.29094342; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-07-ts-c2-c3 3a-iprjohnphos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1953.99885009; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-07-ts-c2-c3 3d-cyjohnphos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2186.71781350; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-18-t3-boh3 2e-pipr3-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1610.84720114; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-25-ts-t5-t6 2f-pcpt3-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1844.29466486; Eh | |||
 | 7-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-00-lpdoh2 2h-pcy2tbu-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2495.17723699; Eh |
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