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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-12-ts-rxt-t1 9c-etjohnphos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1801.24062833; Eh | |||
 | 7-Aug-2024 | /3h-ruphos/3h-ruphos-07-ts-c2-c3 3h-ruphos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2574.68076657; Eh | |||
 | 6-Aug-2024 | /3i-xphos/3i-xphos-84-lig 3i-xphos-84-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1625.60343647; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-04-ts-c1-c2 9b-cptjohnphos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2032.02337337; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-58-c2alt 3k-tbujohnphos-58-c2alt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1956.06975408; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-20-ts-t3-t4 3e-cymephos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1973.90396867; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-08-c3-boh3 9f-pcpr3-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1607.25014266; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-19-t3 2h-pcy2tbu-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1630.80599055; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-15-t2 2c-pph3-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1872.99353917; Eh | |||
 | 7-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-14-ts-t1-t2 3k-tbujohnphos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1958.15877026; Eh |
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