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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-17-ts-t2-t3 3a-iprjohnphos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1953.95600581; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-16-t2-h2o 2h-pcy2tbu-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1882.72994396; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-73-hc1-boh3 2g-pcy3-73-hc1-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2444.01771021; Eh | |||
 | 6-Aug-2024 | /3i-xphos/3i-xphos-11-c4 3i-xphos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2287.33226083; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-24-t5 3o-tbubrettphos-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2616.19264581; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-05-c2 3k-tbujohnphos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1958.21381657; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-84-lig 3e-cymephos-84-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1311.73956063; Eh | |||
 | 6-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-07-ts-c2-c3 3q-adjohnphos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2495.39474240; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-23-ts-c5-c6 2e-pipr3-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1610.81184680; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-06-c2-h2o 9f-pcpr3-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1607.25186001; Eh |
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