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 | /9g-pet3/9g-pet3-15-t2/9g-pet3-15-t2-opt 9g-pet3-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1418.50013546; Eh | |||
 | 26-Jan-2025 | /3i-pad3/3i-pad3-24-t5/3i-pad3-24-t5-opt 3i-pad3-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2425.67789719; Eh | |||
 | 26-Jan-2025 | /3i-pad3/3i-pad3-13-t1/3i-pad3-13-t1-opt 3i-pad3-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2349.37324513; Eh | |||
 | 26-Jan-2025 | /3j-iprjohnphos/3j-iprjohnphos-10-ts-c3-c4/3j-iprjohnphos-10-ts-c3-c4-orcasp 3j-iprjohnphos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1702.00740931; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-63-t3ob/3w-tbuxphos-63-t3ob-orcasp 3w-tbuxphos-63-t3ob-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.64471543; Eh | |||
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-31-xb/3y-me4tbuxphos-31-xb-orcasp 3y-me4tbuxphos-31-xb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2213.39765887; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-01-rxt/3m-cyjohnphos-01-rxt-orcasp 3m-cyjohnphos-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.42666961; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-99-lig/3w-tbuxphos-99-lig-orcasp 3w-tbuxphos-99-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1469.50736023; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-67-t4ob-h2o/3w-tbuxphos-67-t4ob-h2o-opt 3w-tbuxphos-67-t4ob-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2387.61412205; Eh | |||
 | 26-Jan-2025 | /3q-ruphos/3q-ruphos-19-t3/3q-ruphos-19-t3-opt 3q-ruphos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2322.59398037; Eh |
Results 4241-4250 of 5927 (Search time: 0.002 seconds).