Search        

Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3w-tbuxphos/3w-tbuxphos-75-t5ob/3w-tbuxphos-75-t5ob-orcasp 3w-tbuxphos-75-t5ob-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1923.96808797; Eh
thumbnail.jpeg26-Jan-2025/3w-tbuxphos/3w-tbuxphos-71-ts-t4ob-t4-6mps/3w-tbuxphos-71-ts-t4ob-t4-6mps-opt 3w-tbuxphos-71-ts-t4ob-t4-6mps-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2463.88553156; Eh
thumbnail.jpeg26-Jan-2025/3w-tbuxphos/3w-tbuxphos-68-ts-t4ob-t4-4mps/3w-tbuxphos-68-ts-t4ob-t4-4mps-opt 3w-tbuxphos-68-ts-t4ob-t4-4mps-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2387.56130679; Eh
thumbnail.jpeg26-Jan-2025/3w-tbuxphos/3w-tbuxphos-70-t4ob-2h2o/3w-tbuxphos-70-t4ob-2h2o-opt 3w-tbuxphos-70-t4ob-2h2o-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2463.90511605; Eh
thumbnail.jpeg26-Jan-2025/3w-tbuxphos/3w-tbuxphos-69-t4-boh3/3w-tbuxphos-69-t4-boh3-opt 3w-tbuxphos-69-t4-boh3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2387.61188941; Eh
thumbnail.jpeg26-Jan-2025/3w-tbuxphos/3w-tbuxphos-71-ts-t4ob-t4-6mps/3w-tbuxphos-71-ts-t4ob-t4-6mps-orcasp 3w-tbuxphos-71-ts-t4ob-t4-6mps-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2461.11692972; Eh
thumbnail.jpeg26-Jan-2025/3w-tbuxphos/3w-tbuxphos-68-ts-t4ob-t4-4mps/3w-tbuxphos-68-ts-t4ob-t4-4mps-orcasp 3w-tbuxphos-68-ts-t4ob-t4-4mps-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2384.85078467; Eh
thumbnail.jpeg26-Jan-2025/3w-tbuxphos/3w-tbuxphos-67-t4ob-h2o/3w-tbuxphos-67-t4ob-h2o-orcasp 3w-tbuxphos-67-t4ob-h2o-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2384.92316019; Eh
thumbnail.jpeg26-Jan-2025/3w-tbuxphos/3w-tbuxphos-70-t4ob-2h2o/3w-tbuxphos-70-t4ob-2h2o-orcasp 3w-tbuxphos-70-t4ob-2h2o-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2461.15980446; Eh
thumbnail.jpeg26-Jan-2025/3w-tbuxphos/3w-tbuxphos-69-t4-boh3/3w-tbuxphos-69-t4-boh3-orcasp 3w-tbuxphos-69-t4-boh3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2384.92301943; Eh
Results 3551-3560 of 5215 (Search time: 0.004 seconds).