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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-04-ts-c1-c2 3r-adbrettphos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3000.09317014; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-23-ts-c5-c6 3l-tbumephos-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2071.43224676; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-11-c4 3k-tbujohnphos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1780.35386140; Eh | |||
 | 6-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-24-t5 3r-adbrettphos-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3076.38939987; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-11-c4 9f-pcpr3-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1355.27491965; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-84-lig 2f-pcpt3-84-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -926.95651367; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-67-t3ob-2h2o 3o-tbubrettphos-67-t3ob-2h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2307.37841689; Eh | |||
 | 7-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-45-p1-h2o 3a-iprjohnphos-45-p1-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2743.52157471; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-00-lpdoh2 3o-tbubrettphos-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3958.08442984; Eh | |||
 | 7-Aug-2024 | /3g-sphos/3g-sphos-12-ts-rxt-t1 3g-sphos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2341.36982330; Eh |
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