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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3x-tbubrettphos/3x-tbubrettphos-07-ts-c2-c3/3x-tbubrettphos-07-ts-c2-c3-opt 3x-tbubrettphos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2616.22637173; Eh | |||
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-57-koh-ref/3h-ptbu3-57-koh-ref-opt 3h-ptbu3-57-koh-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1768.37598801; Eh | |||
 | 26-Jan-2025 | /3x-tbubrettphos/3x-tbubrettphos-13-t1/3x-tbubrettphos-13-t1-opt 3x-tbubrettphos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2539.90309624; Eh | |||
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-13-t1/3f-pcy2tbu-13-t1-opt 3f-pcy2tbu-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1808.44013263; Eh | |||
 | 5-May-2025 | /3m-cyjohnphos/3m-cyjohnphos-6cn10-ts-c3-c4/3m-cyjohnphos-6cn10-ts-c3-c4-orcasp 3m_cyjohnphos_6cn10_ts_c3_c4 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2026.72859382; Eh | |||
 | 26-Jan-2025 | /3k-phjohnphos/3k-phjohnphos-02-ts-rxt-c1/3k-phjohnphos-02-ts-rxt-c1-orcasp 3k-phjohnphos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2103.27651180; Eh | |||
 | 26-Jan-2025 | /9a-cbujohnphos/9a-cbujohnphos-06-c2-h2o/9a-cbujohnphos-06-c2-h2o-orcasp 9a-cbujohnphos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2029.94491839; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-13-t1/3t-tbujohnphos-13-t1-orcasp 3t-tbujohnphos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1956.03225979; Eh | |||
 | 26-Jan-2025 | /unlig-pdoh2/unlig-pdoh2-07-ts-int2-int3/unlig-pdoh2-07-ts-int2-int3-opt unlig-pdoh2-07-ts-int2-int3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1477.35491968; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-23-ts-c5-c6/3m-cyjohnphos-23-ts-c5-c6-opt 3m-cyjohnphos-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2189.04514863; Eh |
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