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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-19-t3 2j-ptbu3-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1478.12227594; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-04-ts-c1-c2 3o-tbubrettphos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2537.02525124; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-12-ts-rxt-t1 9f-pcpr3-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1530.92462981; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-07-ts-c2-c3 3b-phjohnphos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2179.60096963; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-33-ts-rxt-ya 3n-tbuxphos-33-ts-rxt-ya-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.60709291; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-23-ts-c5-c6 2g-pcy3-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1959.88414550; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-16-t2-h2o 2f-pcpt3-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1842.36761394; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-17-ts-t2-t3 2c-pph3-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1949.22849200; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-42-p1 9f-pcpr3-42-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1970.86191713; Eh | |||
 | 7-Aug-2024 | /3g-sphos/3g-sphos-17-ts-t2-t3 3g-sphos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2417.68220140; Eh |
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