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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3f-davephos/3f-davephos-24-t5 3f-davephos-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2320.20386617; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-13-t1 9g-pet3-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1417.04917602; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-h2o base-reactants-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -76.25345220; Eh | |||
 | 7-Aug-2024 | /3c-phdavephos/3c-phdavephos-17-ts-t2-t3 3c-phdavephos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2315.55477120; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-66-t4ob 3o-tbubrettphos-66-t4ob-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2231.07685960; Eh | |||
 | 7-Aug-2024 | /3h-ruphos/3h-ruphos-14-ts-t1-t2 3h-ruphos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2498.31826376; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-19-t3 2i-ptbu2cy-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1555.41372104; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-44-ts-t3-p1 2g-pcy3-44-ts-t3-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point; Single point | - | def2-QZVPP; def2-QZVPP/C | -2752.46749895; -2752.46749698; Eh; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-20-ts-t3-t4 9a-cbujohnphos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1777.94577611; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-18-t3-boh3 2f-pcpt3-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1842.36775540; Eh |
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