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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-10-ts-c3-c4 3l-tbumephos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1819.51426465; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-84-lig 9b-cptjohnphos-84-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1192.91548610; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-19-t3 3d-cyjohnphos-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1934.77006010; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-09-c3 2g-pcy3-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1708.00951666; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-61-ts-t3rh-t3ob 3n-tbuxphos-61-ts-t3rh-t3ob-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.28642287; Eh | |||
 | 6-Aug-2024 | /unlig-pdoh2/unlig-pdoh2-00-murxt unlig-pdoh2-00-murxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1680.38630677; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-66-t4ob 3n-tbuxphos-66-t4ob-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2002.45294923; Eh | |||
 | 7-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-84-lig 3r-adbrettphos-84-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2163.33687920; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-13-t1 3a-iprjohnphos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1879.72261274; Eh | |||
 | 7-Aug-2024 | /3i-xphos/3i-xphos-19-t3 3i-xphos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2290.11778115; Eh |
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