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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required13-Dec-2018V18_12-6_OPTNotario, AlmudenaADF; 2016Geometry optimizationDFTTZP-19.08635647; Eh
Login required13-Dec-2018V18_16-2_OPTNotario, AlmudenaADF; 2016Geometry optimizationDFTTZP-
Login required13-Dec-2018V18_18-0_OPTNotario, AlmudenaADF; 2016Geometry optimizationDFTTZP-19.79511607; Eh
Login required13-Dec-2018V18_8-10_OPTNotario, AlmudenaADF; 2016Geometry optimizationDFTTZP-18.38877688; Eh
thumbnail.jpeg16-Feb-2018VCo4_S0_freqPoblet, Josep M.Gaussian; 09; EM64L-G09RevC.01Geometry optimization StructureUB3LYP--7217.44449810; Eh
thumbnail.jpeg16-Feb-2018VCo4_S0_optPoblet, Josep M.Gaussian; 09; EM64L-G09RevC.01Geometry optimization MinimumUB3LYPlanl2dz; 6-31g(d,p); 6-31g-7217.44449809; Eh
thumbnail.jpeg16-Feb-2018VCo4_S1_freqPoblet, Josep M.Gaussian; 09; EM64L-G09RevC.01Geometry optimization StructureUB3LYP--7216.75887995; Eh
thumbnail.jpeg16-Feb-2018VCo4_S1_optPoblet, Josep M.Gaussian; 09; EM64L-G09RevC.01Geometry optimization MinimumUB3LYPlanl2dz; 6-31g(d,p); 6-31g-7216.75887992; Eh
thumbnail.jpeg16-Feb-2018VCo4_S1prime_freqPoblet, Josep M.Gaussian; 09; EM64L-G09RevC.01Geometry optimization StructureUB3LYP--7217.23402842; Eh
thumbnail.jpeg16-Feb-2018VCo4_S1prime_optPoblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUB3LYPlanl2dz; 6-31g(d,p); 6-31g-7217.23402837; Eh
thumbnail.jpeg16-Feb-2018VCo4_S2_freqPoblet, Josep M.Gaussian; 09; EM64L-G09RevC.01Geometry optimization StructureUB3LYP--7216.08430553; Eh
thumbnail.jpeg16-Feb-2018VCo4_S2_optPoblet, Josep M.Gaussian; 09; EM64L-G09RevC.01Geometry optimization MinimumUB3LYPlanl2dz; 6-31g(d,p); 6-31g-7216.08430785; Eh
thumbnail.jpeg16-Feb-2018VCo4_S3_freqPoblet, Josep M.Gaussian; 09; EM64L-G09RevC.01Geometry optimization StructureUB3LYP--7291.89649374; 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_S3prime_freqPoblet, Josep M.Gaussian; 09; EM64L-G09RevC.01Geometry optimization StructureUB3LYP--7292.52608941; Eh
thumbnail.jpeg16-Feb-2018VCo4_S3prime_optPoblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUB3LYPlanl2dz; 6-31g(d,p); 6-31g-7292.52609075; Eh
thumbnail.jpeg16-Feb-2018VCo4_S4_freqPoblet, Josep M.Gaussian; 09; EM64L-G09RevC.01Geometry optimization StructureUB3LYP--7291.27296114; 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
thumbnail.jpeg16-Feb-2018VCo4_TS_freqPoblet, Josep M.Gaussian; 09; EM64L-G09RevC.01Geometry optimization StructureUB3LYP--7292.49247858; Eh
thumbnail.jpeg16-Feb-2018VCo4_TS_optPoblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization TSUB3LYPlanl2dz; 6-31g(d,p); 6-31g-7292.49247852; Eh