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 | /3v-tbudavephos/3v-tbudavephos-20-ts-t3-t4/3v-tbudavephos-20-ts-t3-t4-opt 3v-tbudavephos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1916.11859723; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-25-ts-t5-t6/3s-brettphos-25-ts-t5-t6-opt 3s-brettphos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.76532671; Eh | |||
 | 26-Jan-2025 | /3x-tbubrettphos/3x-tbubrettphos-78-t6ob/3x-tbubrettphos-78-t6ob-opt 3x-tbubrettphos-78-t6ob-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2231.07685960; Eh | |||
 | 26-Jan-2025 | /3d-pcpt3/3d-pcpt3-17-ts-t2-t3/3d-pcpt3-17-ts-t2-t3-opt 3d-pcpt3-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1844.29650136; Eh | |||
 | 26-Jan-2025 | /3j-iprjohnphos/3j-iprjohnphos-05-c2/3j-iprjohnphos-05-c2-opt 3j-iprjohnphos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1879.76423008; Eh | |||
 | 26-Jan-2025 | /9h-pme3/9h-pme3-13-t1/9h-pme3-13-t1-opt 9h-pme3-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1300.79579589; Eh | |||
 | 26-Jan-2025 | /3g-ptbu2cy/3g-ptbu2cy-05-c2/3g-ptbu2cy-05-c2-orcasp 3g-ptbu2cy-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1729.31502159; Eh | |||
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-99-lig/3f-pcy2tbu-99-lig-orcasp 3f-pcy2tbu-99-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -967.32190680; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-11-c4/3a-pph3-11-c4-orcasp 3a-pph3-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1697.30488120; Eh | |||
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-17-ts-t2-t3/3y-me4tbuxphos-17-ts-t2-t3-opt 3y-me4tbuxphos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2544.46227490; Eh |
Results 2631-2640 of 5927 (Search time: 0.003 seconds).