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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-10-ts-c3-c4 3j-brettphos-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2518.71173157; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-10-ts-c3-c4 3a-iprjohnphos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1702.00740931; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-02-ts-rxt-c1 3n-tbuxphos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.59430687; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-07-ts-c2-c3 2f-pcpt3-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1842.39508787; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-20-ts-t3-t4 9f-pcpr3-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1355.25186747; Eh | |||
 | 6-Aug-2024 | /3i-xphos/3i-xphos-25-ts-t5-t6 3i-xphos-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2539.24550051; Eh | |||
 | 6-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-37-yb 3r-adbrettphos-37-yb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3076.39903016; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-11-c4 3b-phjohnphos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1927.62963614; Eh | |||
 | 7-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-08-c3-boh3 3q-adjohnphos-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2498.20067535; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-18-t3-boh3 2d-potol3-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2068.95179120; Eh |
Results 1051-1060 of 5215 (Search time: 0.003 seconds).