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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-39-t2-lig 2f-pcpt3-39-t2-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2693.06069452; Eh | |||
 | 6-Aug-2024 | /3i-xphos/3i-xphos-38-ts-yb-c1 3i-xphos-38-ts-yb-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2539.23808746; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-17-ts-t2-t3 3o-tbubrettphos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2616.17570713; Eh | |||
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-33-ts-rxt-ya 3j-brettphos-33-ts-rxt-ya-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2694.47154213; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-14-ts-t1-t2 2i-ptbu2cy-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1731.14078897; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-10-ts-c3-c4 9f-pcpr3-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1356.75457027; Eh | |||
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-37-yb 3j-brettphos-37-yb-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.79945498; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-03-c1 9d-mejohnphos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1722.79519004; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-k3po4h2o base-reactants-k3po4h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-TZVPP/C | -2516.69338002; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-10-ts-c3-c4 2h-pcy2tbu-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1630.76817326; Eh |
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