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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-May-2025 | /3m-cyjohnphos/3m-cyjohnphos-6ome10-ts-c3-c4/3m-cyjohnphos-6ome10-ts-c3-c4-opt 3m_cyjohnphos_6ome10_ts_c3_c4 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2051.30060346; Eh | |||
 | 26-Jan-2025 | /3x-tbubrettphos/3x-tbubrettphos-04-ts-c1-c2/3x-tbubrettphos-04-ts-c1-c2-opt 3x-tbubrettphos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2539.86525942; Eh | |||
 | 26-Jan-2025 | /9a-cbujohnphos/9a-cbujohnphos-16-t2-h2o/9a-cbujohnphos-16-t2-h2o-opt 9a-cbujohnphos-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2032.05967748; Eh | |||
 | 26-Jan-2025 | /3j-iprjohnphos/3j-iprjohnphos-18-t3-boh3/3j-iprjohnphos-18-t3-boh3-opt 3j-iprjohnphos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1956.04916293; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-23-ts-c5-c6/3p-sphos-23-ts-c5-c6-opt 3p-sphos-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2417.68333775; Eh | |||
 | 26-Jan-2025 | /9b-cptjohnphos/9b-cptjohnphos-15-t2/9b-cptjohnphos-15-t2-opt 9b-cptjohnphos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2034.27588172; Eh | |||
 | 26-Jan-2025 | /9f-pcpr3/9f-pcpr3-09-c3/9f-pcpr3-09-c3-opt 9f-pcpr3-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1356.79651418; Eh | |||
 | 26-Jan-2025 | /3i-pad3/3i-pad3-21-t4/3i-pad3-21-t4-opt 3i-pad3-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2173.64117088; Eh | |||
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-00-lpdoh2/3h-ptbu3-00-lpdoh2-orcasp 3h-ptbu3-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2183.52923867; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-25-ts-t5-t6/3n-cymephos-25-ts-t5-t6-opt 3n-cymephos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2228.27777630; Eh |
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