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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9g-pet3/9g-pet3-15-t2 9g-pet3-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1418.50013546; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-68-ts-t3ob-2h2o-t4ob 3o-tbubrettphos-68-ts-t3ob-2h2o-t4ob-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2304.89006646; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-44-ts-t3-p1 3d-cyjohnphos-44-ts-t3-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3206.00350956; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-14-ts-t1-t2 3b-phjohnphos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2103.28716836; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-25-ts-t5-t6 2f-pcpt3-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1842.33487195; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-11-c4 2h-pcy2tbu-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1630.78305210; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-10-ts-c3-c4 3a-iprjohnphos-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1703.95944552; Eh | |||
 | 7-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-08-c3-boh3 3r-adbrettphos-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3079.91933908; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-23-ts-c5-c6 3n-tbuxphos-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2387.55722649; Eh | |||
 | 7-Aug-2024 | /3i-xphos/3i-xphos-07-ts-c2-c3 3i-xphos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2542.19152095; Eh |
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