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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /base-catalysis/base-catalysis-00-ts-naphboh3-ts0 base-catalysis-00-ts-naphboh3-ts0-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -636.00281176; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-12-ts-rxt-t1 2c-pph3-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1872.96091593; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-10-ts-c3-c4 2f-pcpt3-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1590.40206356; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-17-ts-t2-t3 9g-pet3-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1493.30011416; Eh | |||
 | 6-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-34-ya 3r-adbrettphos-34-ya-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3000.13408621; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-06-c2-h2o 2c-pph3-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1951.27603250; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-60-t3ob 3n-tbuxphos-60-t3ob-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1926.13606699; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-15-t2 9e-pcbu3-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1650.22276513; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-05-c2 9f-pcpr3-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1532.55221611; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-21-t4 2c-pph3-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1699.19142326; Eh |
Results 1541-1550 of 5215 (Search time: 0.002 seconds).