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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-6ome03-c1/3m-cyjohnphos-6ome03-c1-opt 3m_cyjohnphos_6ome03_c1 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2227.05326896; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6ome15-t2/3h-ptbu3-6ome15-t2-opt 3h_ptbu3_6ome15_t2 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1768.18948834; Eh | |||
 | 26-Jan-2025 | /3g-ptbu2cy/3g-ptbu2cy-22-c5/3g-ptbu2cy-22-c5-opt 3g-ptbu2cy-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1807.49593062; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-42-p1/3c-pipr3-42-p1-opt 3c-pipr3-42-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1980.16399518; Eh | |||
 | 26-Jan-2025 | /3x-tbubrettphos/3x-tbubrettphos-64-ts-t3ob-t4ob/3x-tbubrettphos-64-ts-t3ob-t4ob-orcasp 3x-tbubrettphos-64-ts-t3ob-t4ob-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2537.03818637; Eh | |||
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-25-ts-t5-t6/3l-phdavephos-25-ts-t5-t6-orcasp 3l-phdavephos-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2313.07432238; Eh | |||
 | 26-Jan-2025 | /9a-cbujohnphos/9a-cbujohnphos-13-t1/9a-cbujohnphos-13-t1-orcasp 9a-cbujohnphos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1953.63353222; Eh | |||
 | 26-Jan-2025 | /9c-etjohnphos/9c-etjohnphos-09-c3/9c-etjohnphos-09-c3-orcasp 9c-etjohnphos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1623.72476007; Eh | |||
 | 26-Jan-2025 | /3x-tbubrettphos/3x-tbubrettphos-08-c3-boh3/3x-tbubrettphos-08-c3-boh3-opt 3x-tbubrettphos-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2616.23640082; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-16-t2-h2o/9d-mejohnphos-16-t2-h2o-opt 9d-mejohnphos-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1799.11584199; Eh |
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