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.jpeg22-Oct-2018V-oxo_1e_distorted_re-optSolé-Daura, AlbertGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUB3LYPlanl2dz; 6-31g(d,p)-4815.59945169; Eh
thumbnail.jpeg16-Feb-2018Compound5Poblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUB3LYP--6092.77329781; Eh
thumbnail.jpeg16-Feb-2018Compound4Poblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUB3LYP--6168.78056207; Eh
thumbnail.jpeg16-Feb-2018Compound3apostrophePoblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUB3LYP--6168.34694731; Eh
thumbnail.jpeg16-Feb-2018PCo4_S2prime_optPoblet, Josep M.Gaussian; 09; EM64L-G09RevC.01Geometry optimization MinimumUB3LYPlanl2dz; 6-31g(d,p); 6-31g-7086.53814518; Eh
thumbnail.jpeg16-Feb-2018PCo4_S3prime_optPoblet, Josep M.Gaussian; 09; EM64L-G09RevC.01Geometry optimization MinimumUB3LYPlanl2dz; 6-31g(d,p); 6-31g-7162.55430240; 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_S3prime_optPoblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUB3LYPlanl2dz; 6-31g(d,p); 6-31g-7292.52609075; 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-2018PCo4_S1prime_optPoblet, Josep M.Gaussian; 09; EM64L-G09RevC.01Geometry optimization MinimumUB3LYPlanl2dz; 6-31g(d,p); 6-31g-7087.26843352; Eh
Results 1-10 of 95 (Search time: 0.001 seconds).