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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-04-ts-c1-c2/3l-phdavephos-04-ts-c1-c2-opt 3l-phdavephos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2239.23614624; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-36-ts-rxt-yb/3m-cyjohnphos-36-ts-rxt-yb-opt 3m-cyjohnphos-36-ts-rxt-yb-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2189.03487307; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-86-c2-naphboh2/3e-pcy3-86-c2-naphboh2-opt 3e-pcy3-86-c2-naphboh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2446.66467125; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-16-t2-h2o/3u-tbumephos-16-t2-h2o-opt 3u-tbumephos-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2073.73323241; Eh | |||
 | 26-Jan-2025 | /3d-pcpt3/3d-pcpt3-20-ts-t3-t4/3d-pcpt3-20-ts-t3-t4-orcasp 3d-pcpt3-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1590.40544363; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-36-ts-rxt-yb/3w-tbuxphos-36-ts-rxt-yb-orcasp 3w-tbuxphos-36-ts-rxt-yb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2384.86340073; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-17-ts-t2-t3/3c-pipr3-17-ts-t2-t3-orcasp 3c-pipr3-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1610.82605550; Eh | |||
 | 26-Jan-2025 | /3i-pad3/3i-pad3-03-c1/3i-pad3-03-c1-orcasp 3i-pad3-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2346.65841601; Eh | |||
 | 5-May-2025 | /3m-cyjohnphos/3m-cyjohnphos-6omee13-ts-etrxt-et1/3m-cyjohnphos-6omee13-ts-etrxt-et1-opt 3m_cyjohnphos_6omee13_ts_etrxt_et1 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2461.23640593; Eh | |||
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-25-ts-t5-t6/3h-ptbu3-25-ts-t5-t6-opt 3h-ptbu3-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1730.15261711; Eh |
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