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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-69-t4ob-1h2o 3o-tbubrettphos-69-t4ob-1h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2304.93463788; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-70-c2dim 3k-tbujohnphos-70-c2dim-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3408.29134047; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-60-t3ob 3p-me4tbuxphos-60-t3ob-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2080.63792897; Eh | |||
 | 6-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-08-c3-boh3 3q-adjohnphos-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2495.40239255; Eh | |||
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-06-c2-h2o 3p-me4tbuxphos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2544.53055863; Eh | |||
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-66-t4ob 3p-me4tbuxphos-66-t4ob-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2159.36329242; Eh | |||
 | 7-Aug-2024 | /2g-pcy3/2g-pcy3-39-t2-lig 2g-pcy3-39-t2-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2931.26451747; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-05-c2 3o-tbubrettphos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2539.93070958; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-19-t3 9d-mejohnphos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1547.05309543; Eh | |||
 | 7-Aug-2024 | /2f-pcpt3/2f-pcpt3-22-c5 2f-pcpt3-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1844.34118997; Eh |
Results 2531-2540 of 5215 (Search time: 0.004 seconds).