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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-pcy3-83-lpd0 2g-pcy3-83-lpd0-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1171.99773567; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-12-ts-rxt-t1 3m-tbudavephos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2091.86129257; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-17-ts-t2-t3 3n-tbuxphos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2387.56973378; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-23-ts-c5-c6 2g-pcy3-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1962.02221298; Eh | |||
 | 7-Aug-2024 | /2g-pcy3/2g-pcy3-43-t3-lig 2g-pcy3-43-t3-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2755.50827664; Eh | |||
 | 7-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-22-c5 2h-pcy2tbu-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1884.77999450; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-15-t2 2h-pcy2tbu-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1808.44939758; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-57-koh-ref 3d-cyjohnphos-57-koh-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2225.40663325; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-17-ts-t2-t3 3c-phdavephos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2313.08618571; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-13-t1 2c-pph3-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1872.97241849; Eh |
Results 2211-2220 of 5215 (Search time: 0.003 seconds).