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-Mar-2018/PES_dp furan_TS22-f_dpAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUB3LYP--229.372481086; Eh
thumbnail.jpeg11-Mar-2018/PES_dp furan_TS21-22_dpAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUB3LYP--229.393959313; Eh
thumbnail.jpeg11-Mar-2018/Fragments C2_q0_m3-2Alcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01Single point StructureUB3LYP--75.9381105604; Eh
thumbnail.jpeg11-Mar-2018/PES_dp furan_TS20-21_dpAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUB3LYP--229.305100339; Eh
thumbnail.jpeg11-Mar-2018/PES_dp furan_TS20-f_dpAlcami Pertejo, ManuelGaussian; 09; EM64L-G09RevE.01Geometry optimization TSUB3LYP--229.327020881; Eh
thumbnail.jpeg11-Mar-2018/PES_dp furan_MIN23_dpAlcami Pertejo, ManuelGaussian; 09; AM64L-G09RevC.01Geometry optimization MinimumUB3LYP--229.386161198; Eh
thumbnail.jpeg11-Mar-2018/PES_dp furan_MIN24_dpAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--229.400218964; Eh
thumbnail.jpeg11-Mar-2018/PES_dp furan_MIN22_dpAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUB3LYP--229.400544635; Eh
thumbnail.jpeg11-Mar-2018/PES_dp furan_MIN21_dpAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUB3LYP--229.398289389; Eh
Results 281-289 of 289 (Search time: 0.001 seconds).