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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /base-reactants/base-reactants-boh3/base-reactants-boh3-orcasp base-reactants-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -251.92661467; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-16-t2-h2o/3b-potol3-16-t2-h2o-opt 3b-potol3-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2068.95335572; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-01-rxt/3s-brettphos-01-rxt-opt 3s-brettphos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2694.48698226; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-19-t3/3m-cyjohnphos-19-t3-opt 3m-cyjohnphos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1937.00690427; Eh | |||
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-61-t3ob-2h2o/3y-me4tbuxphos-61-t3ob-2h2o-orcasp 3y-me4tbuxphos-61-t3ob-2h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2617.83606586; Eh | |||
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-78-t6ob/3y-me4tbuxphos-78-t6ob-orcasp 3y-me4tbuxphos-78-t6ob-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2156.91327414; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-17-ts-t2-t3/3e-pcy3-17-ts-t2-t3-orcasp 3e-pcy3-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1959.90454137; Eh | |||
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-18-t3-boh3/3h-ptbu3-18-t3-boh3-orcasp 3h-ptbu3-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1728.34545107; Eh | |||
 | 26-Jan-2025 | /9f-pcpr3/9f-pcpr3-13-t1/9f-pcpr3-13-t1-orcasp 9f-pcpr3-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1530.93951488; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-09-c3/3p-sphos-09-c3-orcasp 3p-sphos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2163.23640932; Eh |
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