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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-12-ts-rxt-t1 3e-cymephos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2151.96503035; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-14-ts-t1-t2 2f-pcpt3-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1767.98001976; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-05-c2 2e-pipr3-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1536.23063798; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-46-ub-ref 3d-cyjohnphos-46-ub-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3100.22385548; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-00-lpdoh2 3m-tbudavephos-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3058.53059081; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-49-t-ref 3k-tbujohnphos-49-t-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1395.69847028; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-19-t3 2g-pcy3-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1707.99445374; Eh | |||
 | 7-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-50-cl-ref 3d-cyjohnphos-50-cl-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2824.41632042; Eh | |||
 | 7-Aug-2024 | /3f-davephos/3f-davephos-06-c2-h2o 3f-davephos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2322.80821998; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-35-ts-ya-c1 3n-tbuxphos-35-ts-ya-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.25234860; Eh |
Results 1701-1710 of 5215 (Search time: 0.002 seconds).