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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-24-t5/3n-cymephos-24-t5-orcasp 3n-cymephos-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2225.84499875; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-22-c5/3n-cymephos-22-c5-orcasp 3n-cymephos-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2225.89321042; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-21-t4/3n-cymephos-21-t4-orcasp 3n-cymephos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1973.94005488; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-17-ts-t2-t3/3n-cymephos-17-ts-t2-t3-opt 3n-cymephos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2228.27836975; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-20-ts-t3-t4/3n-cymephos-20-ts-t3-t4-opt 3n-cymephos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1976.21928882; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-18-t3-boh3/3n-cymephos-18-t3-boh3-opt 3n-cymephos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2228.30848982; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-19-t3/3n-cymephos-19-t3-opt 3n-cymephos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1976.24221734; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-17-ts-t2-t3/3n-cymephos-17-ts-t2-t3-orcasp 3n-cymephos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2225.84870970; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-20-ts-t3-t4/3n-cymephos-20-ts-t3-t4-orcasp 3n-cymephos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1973.90396867; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-16-t2-h2o/3n-cymephos-16-t2-h2o-orcasp 3n-cymephos-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2225.86648293; Eh |
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