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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3j-iprjohnphos/3j-iprjohnphos-08-c3-boh3/3j-iprjohnphos-08-c3-boh3-opt 3j-iprjohnphos-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1956.07362598; Eh | |||
 | 26-Jan-2025 | /3j-iprjohnphos/3j-iprjohnphos-11-c4/3j-iprjohnphos-11-c4-opt 3j-iprjohnphos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1703.98319368; Eh | |||
 | 26-Jan-2025 | /3j-iprjohnphos/3j-iprjohnphos-09-c3/3j-iprjohnphos-09-c3-opt 3j-iprjohnphos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1704.00905531; Eh | |||
 | 26-Jan-2025 | /3j-iprjohnphos/3j-iprjohnphos-07-ts-c2-c3/3j-iprjohnphos-07-ts-c2-c3-orcasp 3j-iprjohnphos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1953.99885009; Eh | |||
 | 26-Jan-2025 | /3j-iprjohnphos/3j-iprjohnphos-10-ts-c3-c4/3j-iprjohnphos-10-ts-c3-c4-orcasp 3j-iprjohnphos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1702.00740931; Eh | |||
 | 26-Jan-2025 | /3j-iprjohnphos/3j-iprjohnphos-08-c3-boh3/3j-iprjohnphos-08-c3-boh3-orcasp 3j-iprjohnphos-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1954.01219685; Eh | |||
 | 26-Jan-2025 | /3j-iprjohnphos/3j-iprjohnphos-09-c3/3j-iprjohnphos-09-c3-orcasp 3j-iprjohnphos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1702.06548894; Eh | |||
 | 26-Jan-2025 | /3j-iprjohnphos/3j-iprjohnphos-04-ts-c1-c2/3j-iprjohnphos-04-ts-c1-c2-opt 3j-iprjohnphos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1879.70827485; Eh | |||
 | 26-Jan-2025 | /3j-iprjohnphos/3j-iprjohnphos-06-c2-h2o/3j-iprjohnphos-06-c2-h2o-opt 3j-iprjohnphos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1956.06980324; Eh | |||
 | 26-Jan-2025 | /3j-iprjohnphos/3j-iprjohnphos-03-c1/3j-iprjohnphos-03-c1-opt 3j-iprjohnphos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1879.72125550; Eh |
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