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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-70-t4ob-2h2o/3y-me4tbuxphos-70-t4ob-2h2o-opt 3y-me4tbuxphos-70-t4ob-2h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2620.81707287; Eh | |||
 | 26-Jan-2025 | /9a-cbujohnphos/9a-cbujohnphos-06-c2-h2o/9a-cbujohnphos-06-c2-h2o-opt 9a-cbujohnphos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2032.08883791; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-51-tl-ref/3m-cyjohnphos-51-tl-ref-opt 3m-cyjohnphos-51-tl-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2824.41528918; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-59-t2-2h2o/3w-tbuxphos-59-t2-2h2o-orcasp 3w-tbuxphos-59-t2-2h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2461.14615373; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-06-c2-h2o/3w-tbuxphos-06-c2-h2o-orcasp 3w-tbuxphos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2384.90951528; Eh | |||
 | 26-Jan-2025 | /3v-tbudavephos/3v-tbudavephos-09-c3/3v-tbudavephos-09-c3-orcasp 3v-tbudavephos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1913.92527658; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6ome13-t1/3e-pcy3-6ome13-t1-orcasp 3e_pcy3_6ome13_t1 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1997.87854389; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-24-t5/3m-cyjohnphos-24-t5-orcasp 3m-cyjohnphos-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2186.68602043; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-21-t4/3o-davephos-21-t4-orcasp 3o-davephos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2068.29966857; Eh | |||
 | 5-May-2025 | /3t-tbujohnphos/3t-tbujohnphos-6cn20-ts-t3-t4/3t-tbujohnphos-6cn20-ts-t3-t4-opt 3t_tbujohnphos_6cn20_ts_t3_t4 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1874.48943461; Eh |
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