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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-35-ts-ya-c1/3m-cyjohnphos-35-ts-ya-c1-orcasp 3m-cyjohnphos-35-ts-ya-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.38325791; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-34-ya/3m-cyjohnphos-34-ya-orcasp 3m-cyjohnphos-34-ya-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.40833658; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-23-ts-c5-c6/3m-cyjohnphos-23-ts-c5-c6-opt 3m-cyjohnphos-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2189.04514863; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-25-ts-t5-t6/3m-cyjohnphos-25-ts-t5-t6-opt 3m-cyjohnphos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2189.03561186; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-24-t5/3m-cyjohnphos-24-t5-opt 3m-cyjohnphos-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2189.05225571; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-22-c5/3m-cyjohnphos-22-c5-opt 3m-cyjohnphos-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2189.08696635; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-21-t4/3m-cyjohnphos-21-t4-opt 3m-cyjohnphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1937.01269163; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-23-ts-c5-c6/3m-cyjohnphos-23-ts-c5-c6-orcasp 3m-cyjohnphos-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2186.65597379; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-22-c5/3m-cyjohnphos-22-c5-orcasp 3m-cyjohnphos-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2186.72101125; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-24-t5/3m-cyjohnphos-24-t5-orcasp 3m-cyjohnphos-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2186.68602043; Eh |
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