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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-18-t3-boh3 3p-me4tbuxphos-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2541.56352411; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-06-c2-h2o 2h-pcy2tbu-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1882.76612100; Eh | |||
 | 6-Aug-2024 | /2k-pad3/2k-pad3-10-ts-c3-c4 2k-pad3-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2170.97409159; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-05-c2 9a-cbujohnphos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1953.68559724; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-76-hc2 2j-ptbu3-76-hc2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1960.48372710; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-13-t1 3d-cyjohnphos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.41678429; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-11-c4 3n-tbuxphos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2132.94261609; Eh | |||
 | 7-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-33-ts-rxt-ya 3r-adbrettphos-33-ts-rxt-ya-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3003.56490225; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-20-ts-t3-t4 3a-iprjohnphos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1703.95847434; Eh | |||
 | 7-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-24-t5 3b-phjohnphos-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2181.84690508; Eh |
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