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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-53-ts-ref/3e-pcy3-53-ts-ref-opt 3e-pcy3-53-ts-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1631.93002881; Eh | |||
 | 26-Jan-2025 | /3d-pcpt3/3d-pcpt3-01-rxt/3d-pcpt3-01-rxt-opt 3d-pcpt3-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1768.00605050; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-24-t5/3n-cymephos-24-t5-opt 3n-cymephos-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2228.28479009; Eh | |||
 | 26-Jan-2025 | /3x-tbubrettphos/3x-tbubrettphos-74-t5ob-rh/3x-tbubrettphos-74-t5ob-rh-orcasp 3x-tbubrettphos-74-t5ob-rh-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2537.08790629; Eh | |||
 | 5-May-2025 | /3m-cyjohnphos/3m-cyjohnphos-6ome15-t2/3m-cyjohnphos-6ome15-t2-orcasp 3m_cyjohnphos_6ome15_t2 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2224.66756092; Eh | |||
 | 26-Jan-2025 | /3k-phjohnphos/3k-phjohnphos-12-ts-rxt-t1/3k-phjohnphos-12-ts-rxt-t1-opt 3k-phjohnphos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2105.53185749; Eh | |||
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-02-ts-rxt-c1/3l-phdavephos-02-ts-rxt-c1-opt 3l-phdavephos-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2239.23444195; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-00-lpdoh2/3t-tbujohnphos-00-lpdoh2-opt 3t-tbujohnphos-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2794.63887733; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-18-t3-boh3/3u-tbumephos-18-t3-boh3-opt 3u-tbumephos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2073.73806866; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-24-t5/3b-potol3-24-t5-opt 3b-potol3-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2068.93223828; Eh |
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