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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3r-xphos/3r-xphos-24-t5/3r-xphos-24-t5-orcasp 3r-xphos-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2539.26018018; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-99-lig/3a-pph3-99-lig-orcasp 3a-pph3-99-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1033.84397081; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6cne14-et1/3h-ptbu3-6cne14-et1-opt 3h_ptbu3_6cne14_et1 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1980.13279575; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-13-t1/3e-pcy3-13-t1-opt 3e-pcy3-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1885.72321019; Eh | |||
 | 26-Jan-2025 | /3d-pcpt3/3d-pcpt3-99-lig/3d-pcpt3-99-lig-opt 3d-pcpt3-99-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -927.758712303; Eh | |||
 | 26-Jan-2025 | /9g-pet3/9g-pet3-19-t3/9g-pet3-19-t3-opt 9g-pet3-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1242.75068163; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-83-ts-t2-t3-6mps/3w-tbuxphos-83-ts-t2-t3-6mps-orcasp 3w-tbuxphos-83-ts-t2-t3-6mps-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-TZVPP/C | -2461.09325260; Eh | |||
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-50-cl-ref/3h-ptbu3-50-cl-ref-orcasp 3h-ptbu3-50-cl-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1904.64522239; Eh | |||
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-13-t1/3y-me4tbuxphos-13-t1-orcasp 3y-me4tbuxphos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2465.28576116; Eh | |||
 | 26-Jan-2025 | /3v-tbudavephos/3v-tbudavephos-15-t2/3v-tbudavephos-15-t2-orcasp 3v-tbudavephos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2089.58546555; Eh |
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