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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2c-pph3/2c-pph3-16-t2-h2o 2c-pph3-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1951.24435961; Eh | |||
 | 7-Aug-2024 | /2k-pad3/2k-pad3-10-ts-c3-c4 2k-pad3-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2173.61011526; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-20-ts-t3-t4 3b-phjohnphos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1927.61500024; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-04-ts-c1-c2 3f-davephos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2243.92898721; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-oh2dioxane base-reactants-oh2dioxane-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -689.28343900; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-pd4oac8 base-reactants-pd4oac8-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2333.41651487; Eh | |||
 | 7-Aug-2024 | /3f-davephos/3f-davephos-25-ts-t5-t6 3f-davephos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2322.74581978; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-08-c3-boh3 9f-pcpr3-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1608.86026712; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-41-p1-boh3 9h-pme3-41-p1-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1761.46417222; Eh | |||
 | 7-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-42-p1 3k-tbujohnphos-42-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2824.09728387; Eh |
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