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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3p-sphos/3p-sphos-14-ts-t1-t2/3p-sphos-14-ts-t1-t2-orcasp 3p-sphos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2338.85415722; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-15-t2/3p-sphos-15-t2-orcasp 3p-sphos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2338.88951967; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-13-t1/3p-sphos-13-t1-orcasp 3p-sphos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2338.86974683; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-10-ts-c3-c4/3p-sphos-10-ts-c3-c4-opt 3p-sphos-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2165.61954192; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-08-c3-boh3/3p-sphos-08-c3-boh3-opt 3p-sphos-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2417.73797168; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-11-c4/3p-sphos-11-c4-opt 3p-sphos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2165.64275799; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-09-c3/3p-sphos-09-c3-opt 3p-sphos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2165.67264240; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-07-ts-c2-c3/3p-sphos-07-ts-c2-c3-orcasp 3p-sphos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2415.16583333; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-10-ts-c3-c4/3p-sphos-10-ts-c3-c4-orcasp 3p-sphos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2163.17366838; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-08-c3-boh3/3p-sphos-08-c3-boh3-orcasp 3p-sphos-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2415.17403566; Eh |
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