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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2d-potol3/2d-potol3-13-t1 2d-potol3-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1992.63107520; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-07-ts-c2-c3 2h-pcy2tbu-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1882.75711178; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-20-ts-t3-t4 2e-pipr3-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1358.88690493; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-01-rxt 2i-ptbu2cy-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1729.27672652; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-13-t1 3b-phjohnphos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2103.30042630; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-11-c4 2d-potol3-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1814.83299248; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-05-c2 9f-pcpr3-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1530.99307703; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-56-oh-ref 3d-cyjohnphos-56-oh-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1627.59558729; Eh | |||
 | 7-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-00-lpdoh2 3b-phjohnphos-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3089.38911146; Eh | |||
 | 7-Aug-2024 | /2g-pcy3/2g-pcy3-77-ts-hc2-hc3 2g-pcy3-77-ts-hc2-hc3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2194.57615492; Eh |
Results 1331-1340 of 5215 (Search time: 0.003 seconds).