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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-18-t3-boh3/3n-cymephos-18-t3-boh3-orcasp 3n-cymephos-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2225.88171724; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-19-t3/3n-cymephos-19-t3-orcasp 3n-cymephos-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1973.94737657; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-12-ts-rxt-t1/3n-cymephos-12-ts-rxt-t1-opt 3n-cymephos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2151.96503035; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-14-ts-t1-t2/3n-cymephos-14-ts-t1-t2-opt 3n-cymephos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2151.96625297; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-16-t2-h2o/3n-cymephos-16-t2-h2o-opt 3n-cymephos-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2228.29895739; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-15-t2/3n-cymephos-15-t2-opt 3n-cymephos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2151.99315972; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-13-t1/3n-cymephos-13-t1-opt 3n-cymephos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2151.98356032; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-12-ts-rxt-t1/3n-cymephos-12-ts-rxt-t1-orcasp 3n-cymephos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2149.58184305; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-14-ts-t1-t2/3n-cymephos-14-ts-t1-t2-orcasp 3n-cymephos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2149.57978242; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-15-t2/3n-cymephos-15-t2-orcasp 3n-cymephos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2149.61491257; Eh |
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