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Showing results 4576 to 4595 of 93567 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required19-Nov-2024/Ag/cluster_calcs/Ba/5_H2O/5_5600 sol_vs37_ofSeemakurthi, Ranga Rohitvasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complexSingle pointDFT--73.74825222; eV
Login required19-Nov-2024/Ag/cluster_calcs/Ba/5_H2O/5_5800 optSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--73.70600014; eV
Login required19-Nov-2024/Ag/cluster_calcs/Ba/5_H2O/5_5800 sol_vs37_ofSeemakurthi, Ranga Rohitvasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complexSingle pointDFT--73.70593727; eV
Login required19-Nov-2024/Ag/cluster_calcs/Ba/5_H2O/5_6000 optSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--73.85959193; eV
Login required19-Nov-2024/Ag/cluster_calcs/Ba/5_H2O/5_6000 sol_vs37_ofSeemakurthi, Ranga Rohitvasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complexSingle pointDFT--73.85941565; eV
Login required19-Nov-2024/Ag/cluster_calcs/Ba/5_H2O/5_7000 optSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--73.73929974; eV
Login required25-Apr-2024/Ag/cluster_calcs/Cs/6_H2O 6_3300Seemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--87.52381928; eV
Login required25-Apr-2024/Ag/cluster_calcs/Cs/6_H2O 6_3800Seemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--87.72752506; eV
Login required25-Apr-2024/Ag/cluster_calcs/Cs/6_H2O 6_3900Seemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--87.61115441; eV
Login required25-Apr-2024/Ag/cluster_calcs/Cs/6_H2O 6_4200Seemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--87.86684337; eV
Login required25-Apr-2024/Ag/cluster_calcs/Cs/6_H2O 6_4600Seemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--87.87140822; eV
Login required25-Apr-2024/Ag/cluster_calcs/Cs/6_H2O 6_4700Seemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--87.88620049; eV
Login required25-Apr-2024/Ag/cluster_calcs/Cs/6_H2O 6_4750Seemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--87.91443406; eV
Login required25-Apr-2024/Ag/cluster_calcs/Cs/6_H2O 6_5600Seemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--87.61956346; eV
Login required25-Apr-2024/Ag/cluster_calcs/Cs/6_H2O 6_5900Seemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--87.88712611; eV
Login required25-Apr-2024/Ag/cluster_calcs/Cs/6_H2O 6_6250Seemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--87.98048084; eV
Login required25-Apr-2024/Ag/cluster_calcs/Cs/6_H2O 6_6300Seemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--87.76117529; eV
Login required25-Apr-2024/Ag/cluster_calcs/Cs/7_H2O 7_4700Seemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--102.36680798; eV
Login required25-Apr-2024/Ag/cluster_calcs/Cs/7_H2O 7_4800Seemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--102.11767418; eV
Login required25-Apr-2024/Ag/cluster_calcs/Cs/7_H2O 7_4900Seemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--102.08456853; eV
Showing results 4576 to 4595 of 93567 < previous   next >