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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3r-xphos/3r-xphos-13-t1/3r-xphos-13-t1-opt 3r-xphos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2465.85555757; Eh | |||
 | 26-Jan-2025 | /3r-xphos/3r-xphos-12-ts-rxt-t1/3r-xphos-12-ts-rxt-t1-orcasp 3r-xphos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2462.99558744; Eh | |||
 | 26-Jan-2025 | /3r-xphos/3r-xphos-14-ts-t1-t2/3r-xphos-14-ts-t1-t2-orcasp 3r-xphos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2462.98966833; Eh | |||
 | 26-Jan-2025 | /3r-xphos/3r-xphos-15-t2/3r-xphos-15-t2-orcasp 3r-xphos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2463.02645842; Eh | |||
 | 26-Jan-2025 | /3r-xphos/3r-xphos-13-t1/3r-xphos-13-t1-orcasp 3r-xphos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2463.00617093; Eh | |||
 | 26-Jan-2025 | /3r-xphos/3r-xphos-10-ts-c3-c4/3r-xphos-10-ts-c3-c4-opt 3r-xphos-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2290.08479626; Eh | |||
 | 26-Jan-2025 | /3r-xphos/3r-xphos-08-c3-boh3/3r-xphos-08-c3-boh3-opt 3r-xphos-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2542.20143236; Eh | |||
 | 26-Jan-2025 | /3r-xphos/3r-xphos-11-c4/3r-xphos-11-c4-opt 3r-xphos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2290.10236443; Eh | |||
 | 26-Jan-2025 | /3r-xphos/3r-xphos-09-c3/3r-xphos-09-c3-opt 3r-xphos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2290.13313576; Eh | |||
 | 26-Jan-2025 | /3r-xphos/3r-xphos-07-ts-c2-c3/3r-xphos-07-ts-c2-c3-orcasp 3r-xphos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2539.29972787; Eh |
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