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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-85-c2dim/3e-pcy3-85-c2dim-orcasp 3e-pcy3-85-c2dim-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3263.54636677; Eh | |||
 | 26-Jan-2025 | /3aa-adbrettphos/3aa-adbrettphos-36-ts-rxt-yb/3aa-adbrettphos-36-ts-rxt-yb-opt 3aa-adbrettphos-36-ts-rxt-yb-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3079.86358132; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-45-p1-h2o/9d-mejohnphos-45-p1-h2o-opt 9d-mejohnphos-45-p1-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2429.69695465; Eh | |||
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-07-ts-c2-c3/3l-phdavephos-07-ts-c2-c3-opt 3l-phdavephos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2315.58944290; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-07-ts-c2-c3/3b-potol3-07-ts-c2-c3-opt 3b-potol3-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2068.97962443; Eh | |||
 | 26-Jan-2025 | /3v-tbudavephos/3v-tbudavephos-09-c3/3v-tbudavephos-09-c3-opt 3v-tbudavephos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1916.16324351; Eh | |||
 | 26-Jan-2025 | /9g-pet3/9g-pet3-42-p1/9g-pet3-42-p1-opt 9g-pet3-42-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1744.78742953; Eh | |||
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-02-ts-rxt-c1/3l-phdavephos-02-ts-rxt-c1-orcasp 3l-phdavephos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2236.80969611; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-23-ts-c5-c6/3u-tbumephos-23-ts-c5-c6-orcasp 3u-tbumephos-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2071.43224676; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-06-c2-h2o/3a-pph3-06-c2-h2o-orcasp 3a-pph3-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1949.28569834; Eh |
Results 4931-4940 of 5927 (Search time: 0.006 seconds).