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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6cne03-ec1/3h-ptbu3-6cne03-ec1-opt 3h_ptbu3_6cne03_ec1 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1980.11828312; Eh | |||
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-80-ts-t5ob-t6ob-6mps/3y-me4tbuxphos-80-ts-t5ob-t6ob-6mps-orcasp 3y-me4tbuxphos-80-ts-t5ob-t6ob-6mps-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2233.12539520; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-21-t4/3z-adjohnphos-21-t4-opt 3z-adjohnphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2246.11745920; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-15-t2/3c-pipr3-15-t2-opt 3c-pipr3-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1536.19472746; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-22-c5/3w-tbuxphos-22-c5-opt 3w-tbuxphos-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2387.59711129; Eh | |||
 | 26-Jan-2025 | /3x-tbubrettphos/3x-tbubrettphos-15-t2/3x-tbubrettphos-15-t2-orcasp 3x-tbubrettphos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2537.07433157; Eh | |||
 | 26-Jan-2025 | /3aa-adbrettphos/3aa-adbrettphos-13-t1/3aa-adbrettphos-13-t1-orcasp 3aa-adbrettphos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3000.12394920; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-79-t5ob-2h2o/3w-tbuxphos-79-t5ob-2h2o-opt 3w-tbuxphos-79-t5ob-2h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2078.75380331; Eh | |||
 | 26-Jan-2025 | /9g-pet3/9g-pet3-04-ts-c1-c2/9g-pet3-04-ts-c1-c2-opt 9g-pet3-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1418.48550810; Eh | |||
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-77-ts-t5ob-t6ob-4mps/3y-me4tbuxphos-77-ts-t5ob-t6ob-4mps-orcasp 3y-me4tbuxphos-77-ts-t5ob-t6ob-4mps-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2156.85558408; Eh |
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