Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2022IM1_SGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-2688.44835663; Eh
thumbnail.jpeg9-Nov-2022TS1_TGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUPBE1PBEDEF2SVP-3360.95501805; Eh
thumbnail.jpeg9-Nov-2022IM2_SGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-3360.94964856; Eh
thumbnail.jpeg9-Nov-2022TS1_SGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBE1PBEDEF2SVP-3360.94317637; Eh
thumbnail.jpeg9-Nov-2022IM1_TGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUPBE1PBEDEF2SVP-2688.45155198; Eh
thumbnail.jpeg9-Nov-2022acetic_acidGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-228.651093739; Eh
thumbnail.jpeg9-Nov-2022IM2_TGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUPBE1PBEDEF2SVP-3360.95711738; Eh
thumbnail.jpeg9-Nov-2022TS2_SGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBE1PBEDEF2SVP-3360.92384666; Eh
thumbnail.jpeg9-Nov-2022TS2_TGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUPBE1PBEDEF2SVP-3360.94186292; Eh
Results 11-19 of 19 (Search time: 0.001 seconds).