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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /3i-xphos/3i-xphos-16-t2-h2o 3i-xphos-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2542.17390667; Eh | |||
 | 7-Aug-2024 | /3i-xphos/3i-xphos-38-ts-yb-c1 3i-xphos-38-ts-yb-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2542.13127169; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-03-c1 3o-tbubrettphos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2539.87528611; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-45-p1-h2o 9h-pme3-45-p1-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1584.30377554; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-01-rxt 9d-mejohnphos-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1721.01649148; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-22-c5 3n-tbuxphos-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2384.90124183; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-11-c4 3f-davephos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2068.27665231; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-21-t4 3e-cymephos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1973.94005488; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-60-t3ob 3o-tbubrettphos-60-t3ob-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2154.75510887; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-12-ts-rxt-t1 2i-ptbu2cy-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1731.14442977; Eh |
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