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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-10-ts-c3-c4 2g-pcy3-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1707.95924711; Eh | |||
 | 6-Aug-2024 | /3h-ruphos/3h-ruphos-07-ts-c2-c3 3h-ruphos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2571.89340090; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-01-rxt 3o-tbubrettphos-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2537.06627708; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-10-ts-c3-c4 2i-ptbu2cy-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1555.39505470; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-16-t2-h2o 9h-pme3-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1377.11784602; Eh | |||
 | 7-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-03-c1 3r-adbrettphos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3003.55315277; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-13-t1 9g-pet3-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1418.49142164; Eh | |||
 | 6-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-38-ts-yb-c1 3r-adbrettphos-38-ts-yb-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3076.35548986; Eh | |||
 | 6-Aug-2024 | /2k-pad3/2k-pad3-07-ts-c2-c3 2k-pad3-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2422.96880612; Eh | |||
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-84-lig 3j-brettphos-84-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1852.33373343; Eh |
Results 1741-1750 of 5215 (Search time: 0.005 seconds).