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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-06-c2-h2o 9e-pcbu3-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1726.56523107; Eh | |||
 | 7-Aug-2024 | /2f-pcpt3/2f-pcpt3-43-t3-lig 2f-pcpt3-43-t3-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2520.06214665; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-38-ts-yb-c1 3a-iprjohnphos-38-ts-yb-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1953.93516087; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-23-ts-c5-c6 3m-tbudavephos-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2165.79216954; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-47-oacu-ref 2j-ptbu3-47-oacu-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2792.60199321; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-20-ts-t3-t4 3a-iprjohnphos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1702.01503103; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-04-ts-c1-c2 3c-phdavephos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2236.81082479; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-60-t3rh 3o-tbubrettphos-60-t3rh-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2537.07632141; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-42-p1 3d-cyjohnphos-42-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3129.79408039; Eh | |||
 | 7-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-51-tl-ref 3d-cyjohnphos-51-tl-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2824.41528918; Eh |
Results 2401-2410 of 5215 (Search time: 0.005 seconds).