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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-09-c3 3j-brettphos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2515.80407246; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-20-ts-t3-t4 3o-tbubrettphos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2364.14029125; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-09-c3 3k-tbujohnphos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1782.45702368; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-01-rxt 9d-mejohnphos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1722.79309187; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-13-t1 2h-pcy2tbu-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1808.44013263; Eh | |||
 | 7-Aug-2024 | /2k-pad3/2k-pad3-13-t1 2k-pad3-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2349.37324513; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-39-t2-lig 9c-etjohnphos-39-t2-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2759.58232041; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-49-t-ref 2j-ptbu3-49-t-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1091.73281027; Eh | |||
 | 6-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-01-rxt 3r-adbrettphos-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3000.13689070; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-15-t2 3k-tbujohnphos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1956.05248705; Eh |
Results 1661-1670 of 5215 (Search time: 0.004 seconds).