Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3d-pcpt3/3d-pcpt3-07-ts-c2-c3/3d-pcpt3-07-ts-c2-c3-orcasp 3d-pcpt3-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1842.39508787; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-15-t2/3t-tbujohnphos-15-t2-orcasp 3t-tbujohnphos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1956.05248705; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-05-c2/3b-potol3-05-c2-orcasp 3b-potol3-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1990.55080298; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cn08-c3-boh3/3e-pcy3-6cn08-c3-boh3-opt 3e_pcy3_6cn08_c3_boh3 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2054.15617935; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6cn21-t4/3h-ptbu3-6cn21-t4-opt 3h_ptbu3_6cn21_t4 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1570.20588393; Eh | |||
 | 26-Jan-2025 | /9g-pet3/9g-pet3-21-t4/9g-pet3-21-t4-opt 9g-pet3-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1242.75848598; Eh | |||
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-20-ts-t3-t4/3y-me4tbuxphos-20-ts-t3-t4-orcasp 3y-me4tbuxphos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2289.60592965; Eh | |||
 | 26-Jan-2025 | /3r-xphos/3r-xphos-38-ts-yb-c1/3r-xphos-38-ts-yb-c1-orcasp 3r-xphos-38-ts-yb-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2539.23808746; Eh | |||
 | 26-Jan-2025 | /9g-pet3/9g-pet3-18-t3-boh3/9g-pet3-18-t3-boh3-orcasp 9g-pet3-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1493.32938752; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cn01-rxt/3e-pcy3-6cn01-rxt-orcasp 3e_pcy3_6cn01_rxt | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1975.66552025; Eh |
Results 3651-3660 of 5927 (Search time: 0.005 seconds).