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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3p-sphos/3p-sphos-07-ts-c2-c3/3p-sphos-07-ts-c2-c3-orcasp 3p-sphos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2415.16583333; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-21-t4/3w-tbuxphos-21-t4-orcasp 3w-tbuxphos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2132.97239294; Eh | |||
 | 26-Jan-2025 | /3x-tbubrettphos/3x-tbubrettphos-59-t2-2h2o/3x-tbubrettphos-59-t2-2h2o-opt 3x-tbubrettphos-59-t2-2h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2692.53426671; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-40-ts-t2-p1/3m-cyjohnphos-40-ts-t2-p1-opt 3m-cyjohnphos-40-ts-t2-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3385.27945297; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-05-c2/3t-tbujohnphos-05-c2-opt 3t-tbujohnphos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1958.21381657; Eh | |||
 | 26-Jan-2025 | /3x-tbubrettphos/3x-tbubrettphos-80-ts-t5ob-t6ob-6mps/3x-tbubrettphos-80-ts-t5ob-t6ob-6mps-orcasp 3x-tbubrettphos-80-ts-t5ob-t6ob-6mps-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2304.89006646; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-99-lig/3z-adjohnphos-99-lig-opt 3z-adjohnphos-99-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1581.60933214; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-21-t4/3b-potol3-21-t4-opt 3b-potol3-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1816.90326526; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-09-c3/3n-cymephos-09-c3-opt 3n-cymephos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1976.26921614; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-23-ts-c5-c6/3w-tbuxphos-23-ts-c5-c6-orcasp 3w-tbuxphos-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2384.84553528; Eh |
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