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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-49-t-ref 2g-pcy3-49-t-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1324.82268214; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-03-c1 9f-pcpr3-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1532.50694303; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-10-ts-c3-c4 9h-pme3-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1123.84011494; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-00-lpdoh2 9d-mejohnphos-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2321.41508121; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-15-t2 9h-pme3-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1299.54315098; Eh | |||
 | 6-Aug-2024 | /3h-ruphos/3h-ruphos-15-t2 3h-ruphos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2495.61545094; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-k3po4h2o base-reactants-k3po4h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2516.95975525; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-07-ts-c2-c3 3f-davephos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2322.79744332; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-21-t4 2i-ptbu2cy-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1555.42836320; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-69-t4ob-1h2o 3n-tbuxphos-69-t4ob-1h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2076.50181047; Eh |
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