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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-08-c3-boh3/3m-cyjohnphos-08-c3-boh3-opt 3m-cyjohnphos-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2189.09931381; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-11-c4/3m-cyjohnphos-11-c4-opt 3m-cyjohnphos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1937.00978525; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-09-c3/3m-cyjohnphos-09-c3-opt 3m-cyjohnphos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1937.03298135; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-10-ts-c3-c4/3m-cyjohnphos-10-ts-c3-c4-orcasp 3m-cyjohnphos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1934.72366526; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-07-ts-c2-c3/3m-cyjohnphos-07-ts-c2-c3-orcasp 3m-cyjohnphos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2186.71781350; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-08-c3-boh3/3m-cyjohnphos-08-c3-boh3-orcasp 3m-cyjohnphos-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2186.72795585; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-11-c4/3m-cyjohnphos-11-c4-orcasp 3m-cyjohnphos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1934.74750285; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-09-c3/3m-cyjohnphos-09-c3-orcasp 3m-cyjohnphos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1934.78044010; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-06-c2-h2o/3m-cyjohnphos-06-c2-h2o-opt 3m-cyjohnphos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2189.09618481; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-04-ts-c1-c2/3m-cyjohnphos-04-ts-c1-c2-opt 3m-cyjohnphos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2112.73280275; Eh |
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