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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-ptbu3-72-hc1 2j-ptbu3-72-hc1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1962.73502500; Eh | |||
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-16-t2-h2o 3j-brettphos-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2767.72235970; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-71-c2-naphboh2 2g-pcy3-71-c2-naphboh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2444.00745672; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-13-t1 9a-cbujohnphos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1953.63353222; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-13-t1 9e-pcbu3-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1648.46765350; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-11-c4 9c-etjohnphos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1623.69556989; Eh | |||
 | 6-Aug-2024 | /3g-sphos/3g-sphos-19-t3 3g-sphos-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2163.21835239; Eh | |||
 | 6-Aug-2024 | /3i-xphos/3i-xphos-84-lig 3i-xphos-84-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1623.88608183; Eh | |||
 | 7-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-44-ts-t3-p1 3d-cyjohnphos-44-ts-t3-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3209.52844443; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-12-ts-rxt-t1 9a-cbujohnphos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1955.71931766; Eh |
Results 331-340 of 5823 (Search time: 0.001 seconds).