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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-21-t4 2f-pcpt3-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1592.27080682; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-23-ts-c5-c6 3f-davephos-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2320.17730700; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-18-t3-boh3 3a-iprjohnphos-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1953.98998693; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-00-lpdoh2 2f-pcpt3-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2411.58268473; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-24-t5 3b-phjohnphos-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2179.55743273; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-15-t2 9f-pcpr3-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1530.95893233; Eh | |||
 | 6-Aug-2024 | /3g-sphos/3g-sphos-09-c3 3g-sphos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2163.23640932; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-04-ts-c1-c2 3o-tbubrettphos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2539.86525942; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-43-t3-lig 9d-mejohnphos-43-t3-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2429.64673268; Eh | |||
 | 7-Aug-2024 | /2k-pad3/2k-pad3-04-ts-c1-c2 2k-pad3-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2349.35408487; Eh |
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