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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /9g-pet3/9g-pet3-13-t1/9g-pet3-13-t1-opt 9g-pet3-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1418.49142164; Eh | |||
 | 26-Jan-2025 | /unlig-pdoh2/unlig-pdoh2-12-ts-int2-int5c/unlig-pdoh2-12-ts-int2-int5c-orcasp unlig-pdoh2-12-ts-int2-int5c-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1399.43878070; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-38-ts-yb-c1/3w-tbuxphos-38-ts-yb-c1-orcasp 3w-tbuxphos-38-ts-yb-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2384.85158726; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-03-c1/3s-brettphos-03-c1-orcasp 3s-brettphos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2691.43039268; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-10-ts-c3-c4/3t-tbujohnphos-10-ts-c3-c4-opt 3t-tbujohnphos-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1782.40764322; Eh | |||
 | 26-Jan-2025 | /3d-pcpt3/3d-pcpt3-06-c2-h2o/3d-pcpt3-06-c2-h2o-opt 3d-pcpt3-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1844.35050843; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6cn03-c1/3h-ptbu3-6cn03-c1-opt 3h_ptbu3_6cn03_c1 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1745.92286593; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-22-c5/3s-brettphos-22-c5-opt 3s-brettphos-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.81113771; Eh | |||
 | 26-Jan-2025 | /9e-pcbu3/9e-pcbu3-09-c3/9e-pcbu3-09-c3-opt 9e-pcbu3-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1474.50275852; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-02-ts-rxt-c1/3e-pcy3-02-ts-rxt-c1-orcasp 3e-pcy3-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1883.62739280; Eh |
Results 4721-4730 of 5927 (Search time: 0.003 seconds).