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.jpeg11-Dec-2023/GeomOpt_OLYP_SMDbenzene P16Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; ROLYPLANL2MB LANL2DZ-469.2266167; Eh
thumbnail.jpeg11-Dec-2023/GeomOpt_OLYP_SMDbenzene_def2TZVPP A37Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; ROLYPDEF2SVPP DEF2TZVPP-2141.4364656; Eh
thumbnail.jpeg11-Dec-2023/GeomOpt_OLYP_SMDbenzene_def2TZVPP As2Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; ROLYPDEF2SVPP DEF2TZVPP-3411.1446387; Eh
thumbnail.jpeg11-Dec-2023/GeomOpt_OLYP_SMDbenzene A13Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; ROLYPLANL2MB LANL2DZ-1086.9748163; Eh
thumbnail.jpeg11-Dec-2023/GeomOpt_OLYP_SMDbenzene A12Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; ROLYPLANL2MB LANL2DZ-1088.1665854; Eh
thumbnail.jpeg11-Dec-2023/GeomOpt_OLYP_SMDbenzene 9Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; ROLYPLANL2MB LANL2DZ-1402.3935813; Eh
thumbnail.jpeg11-Dec-2023/GeomOpt_OLYP_def2TZVPP As2Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; ROLYPDEF2SVPP DEF2TZVPP-3411.1285292; Eh
thumbnail.jpeg11-Dec-2023/GeomOpt_OLYP_def2TZVPP H3Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; ROLYPDEF2SVPP DEF2TZVPP-1281.1095088; Eh
thumbnail.jpeg11-Dec-2023/GeomOpt_OLYP_def2TZVPP COFoscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; ROLYPDEF2SVPP DEF2TZVPP-1168.2489202; Eh
thumbnail.jpeg11-Dec-2023/GeomOpt_OLYP_SMDbenzene P8Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; ROLYPLANL2MB LANL2DZ-864.3362883; Eh
Results 41-50 of 76 (Search time: 0.001 seconds).