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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-08-c3-boh3 3e-cymephos-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2225.90335855; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-42-p1 2c-pph3-42-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2654.92892545; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-08-c3-boh3 3o-tbubrettphos-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2616.23640082; Eh | |||
 | 7-Aug-2024 | /2f-pcpt3/2f-pcpt3-40-ts-t2-p1 2f-pcpt3-40-ts-t2-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2695.79282013; Eh | |||
 | 7-Aug-2024 | /9e-pcbu3/9e-pcbu3-39-t2-lig 9e-pcbu3-39-t2-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2460.24742828; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-20-ts-t3-t4 2d-potol3-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1816.86953900; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-19-t3 9c-etjohnphos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1625.51737455; Eh | |||
 | 7-Aug-2024 | /3g-sphos/3g-sphos-03-c1 3g-sphos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2341.37592710; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-23-ts-c5-c6 2f-pcpt3-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1842.32659585; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-08-c3-boh3 2j-ptbu3-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1728.36891405; Eh |
Results 1481-1490 of 5215 (Search time: 0.003 seconds).