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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Feb-2018PCo4_S1prime_optPoblet, Josep M.Gaussian; 09; EM64L-G09RevC.01Geometry optimization MinimumUB3LYPlanl2dz; 6-31g(d,p); 6-31g-7087.26843352; Eh
thumbnail.jpeg16-Feb-2018PCo4_TS_freqPoblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization StructureUB3LYPlanl2dz; 6-31g(d,p); 6-31g-7162.52404161; Eh
thumbnail.jpeg16-Feb-2018PCo4_S1_optPoblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUB3LYPlanl2dz; 6-31g(d,p); 6-31g-7086.79384448; Eh
thumbnail.jpeg16-Feb-2018PCo4_S4_optPoblet, Josep M.Gaussian; 09; EM64L-G09RevC.01Geometry optimization MinimumUB3LYPlanl2dz; 6-31g(d,p); 6-31g-7161.30688443; Eh
thumbnail.jpeg16-Feb-2018PCo4_TS_optPoblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization TSUB3LYPlanl2dz; 6-31g(d,p); 6-31g-7162.52404785; Eh
thumbnail.jpeg16-Feb-2018VCo4_S3prime_freqPoblet, Josep M.Gaussian; 09; EM64L-G09RevC.01Geometry optimization StructureUB3LYP--7292.52608941; Eh
thumbnail.jpeg16-Feb-2018PCo4_S2_freqPoblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization StructureUB3LYPlanl2dz; 6-31g(d,p); 6-31g-7086.12012813; Eh
thumbnail.jpeg16-Feb-2018PCo4_S4_freqPoblet, Josep M.Gaussian; 09; EM64L-G09RevC.01Geometry optimization StructureUB3LYPlanl2dz; 6-31g(d,p); 6-31g-7161.30688443; Eh
thumbnail.jpeg16-Feb-2018VCo4_S3_optPoblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUB3LYPlanl2dz; 6-31g(d,p); 6-31g-7291.89649367; Eh
thumbnail.jpeg16-Feb-2018VCo4_S4_optPoblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUB3LYPlanl2dz; 6-31g(d,p); 6-31g-7291.27296159; Eh
Results 21-30 of 146 (Search time: 0.0 seconds).