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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-pcy3-22-c5 2g-pcy3-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1959.94369564; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-25-ts-t5-t6 2d-potol3-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2068.92369098; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-08-c3-boh3 9d-mejohnphos-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1799.14777299; Eh | |||
 | 7-Aug-2024 | /2k-pad3/2k-pad3-18-t3-boh3 2k-pad3-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2425.69728000; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-11-c4 3m-tbudavephos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1916.13439334; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-09-c3 3b-phjohnphos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1929.83540992; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-01-rxt 9g-pet3-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1418.49575336; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-05-c2 2i-ptbu2cy-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1731.19818460; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-12-ts-rxt-t1 9g-pet3-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1417.04295249; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-52-cs-ref 2g-pcy3-52-cs-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1630.12612540; Eh |
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