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Showing results 3115 to 3119 of 3119 < previous 
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Feb-2019V_AdCNLledó, AgustíGaussian; 09; ES64L-G09RevE.01Single point StructureRPM6--
thumbnail.jpeg7-Jan-2023/vac-PBE_6-311g(d,p) IQ-Me_anion_D0_MinBlancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUPBE1PBE6-311G(D,P)-1322.97065748; Eh
thumbnail.jpeg7-Jan-2023/vac-PBE_6-311g(d,p) IQ-Me_S0_MinBlancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRPBE1PBE6-311G(D,P)-1322.89103709; Eh
thumbnail.jpeg9-Sep-2016verdazylOtten, EdwinTURBOMOLE; 6.4Geometry optimizationU-DFTdef2-TZVP-
Login required31-Jan-2019Water01Swart, MarcelADF; 2018Geometry optimizationDFTDZ-