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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-12-ts-naphbpinoh-ts1 base-catalysis-12-ts-naphbpinoh-ts1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -946.12874458; Eh | |||
 | 6-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-17-ts-t2-t3 3r-adbrettphos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3076.37810426; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-41-p1-boh3 9f-pcpr3-41-p1-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2222.79110053; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-11-c4 2c-pph3-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1697.30488120; Eh | |||
 | 6-Aug-2024 | /3i-xphos/3i-xphos-05-c2 3i-xphos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2463.05076227; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-04-ts-c1-c2 3k-tbujohnphos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1958.15117352; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-18-t3-boh3 9d-mejohnphos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1799.11607054; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-10-ts-c3-c4 9g-pet3-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1242.73911662; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-14-ts-t1-t2 3d-cyjohnphos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.39746735; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-45-p1-h2o 9c-etjohnphos-45-p1-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2583.95821788; Eh |
Results 1621-1630 of 5215 (Search time: 0.003 seconds).