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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3x-tbubrettphos/3x-tbubrettphos-03-c1/3x-tbubrettphos-03-c1-opt 3x-tbubrettphos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2539.87528611; Eh | |||
 | 26-Jan-2025 | /9f-pcpr3/9f-pcpr3-11-c4/9f-pcpr3-11-c4-opt 9f-pcpr3-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1356.77699449; Eh | |||
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-56-oh-ref/3h-ptbu3-56-oh-ref-orcasp 3h-ptbu3-56-oh-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1167.46767924; Eh | |||
 | 26-Jan-2025 | /3aa-adbrettphos/3aa-adbrettphos-11-c4/3aa-adbrettphos-11-c4-orcasp 3aa-adbrettphos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2824.44280163; Eh | |||
 | 26-Jan-2025 | /unlig-pdoh2/unlig-pdoh2-11-int4/unlig-pdoh2-11-int4-orcasp unlig-pdoh2-11-int4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1223.77711777; Eh | |||
 | 26-Jan-2025 | /3d-pcpt3/3d-pcpt3-24-t5/3d-pcpt3-24-t5-orcasp 3d-pcpt3-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1842.34864889; Eh | |||
 | 26-Jan-2025 | /9e-pcbu3/9e-pcbu3-12-ts-rxt-t1/9e-pcbu3-12-ts-rxt-t1-opt 9e-pcbu3-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1650.20018852; Eh | |||
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-14-ts-t1-t2/3f-pcy2tbu-14-ts-t1-t2-opt 3f-pcy2tbu-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1808.42427892; Eh | |||
 | 26-Jan-2025 | /3r-xphos/3r-xphos-08-c3-boh3/3r-xphos-08-c3-boh3-opt 3r-xphos-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2542.20143236; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-05-c2/3o-davephos-05-c2-opt 3o-davephos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2246.49592194; Eh |
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