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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-15-t2 2j-ptbu3-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1653.87323846; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-05-c2 2c-pph3-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1874.97112722; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-75-ts-hc1-hc2 2j-ptbu3-75-ts-hc1-hc2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1960.47723849; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-pd4oac8 base-reactants-pd4oac8-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2336.51539636; Eh | |||
 | 7-Aug-2024 | /2c-pph3/2c-pph3-22-c5 2c-pph3-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1951.26611205; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-12-ts-rxt-t1 2i-ptbu2cy-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1729.25452828; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-57-koh-ref 2g-pcy3-57-koh-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1998.63762128; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-25-ts-t5-t6 3n-tbuxphos-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2384.85158588; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-25-ts-t5-t6 2g-pcy3-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1959.88470781; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-08-c3-boh3 3l-tbumephos-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2071.50912623; Eh |
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