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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-00-lpdoh2 3b-phjohnphos-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3086.00448240; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-18-t3-boh3 3l-tbumephos-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2071.50093241; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-09-c3 3m-tbudavephos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1913.92527658; Eh | |||
 | 6-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-03-c1 3q-adjohnphos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2419.08015569; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-07-ts-c2-c3 3o-tbubrettphos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2616.22637173; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-07-ts-c2-c3 3a-iprjohnphos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1956.06390053; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-19-t3 2c-pph3-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1699.18407420; Eh | |||
 | 7-Aug-2024 | /3i-xphos/3i-xphos-09-c3 3i-xphos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2290.13313576; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-23-ts-c5-c6 2d-potol3-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2066.73753259; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-04-ts-c1-c2 2h-pcy2tbu-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1806.43679570; Eh |
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