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Showing results 4329 to 4348 of 93714 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required25-Apr-2024/Ag/111/K_3_H2O/CO2 optSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--257.79969429; eV
Login required25-Apr-2024/Ag/111/K_3_H2O/CO2 sol_vs37_ofSeemakurthi, Ranga Rohitvasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complexSingle pointDFT--257.80163780; eV
Login required25-Apr-2024/Ag/111/K_3_H2O/CO2 sol_vs37_onSeemakurthi, Ranga Rohitvasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complexGeometry optimizationDFT--258.50242812; eV
Login required25-Apr-2024/Ag/111/K_3_H2O/COOH freqSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--261.21909781; eV
Login required25-Apr-2024/Ag/111/K_3_H2O/COOH optSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--261.22063791; eV
Login required25-Apr-2024/Ag/111/K_3_H2O/COOH sol_vs37_ofSeemakurthi, Ranga Rohitvasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complexSingle pointDFT--261.23061968; eV
Login required25-Apr-2024/Ag/111/K_3_H2O/COOH sol_vs37_onSeemakurthi, Ranga Rohitvasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complexGeometry optimizationDFT--261.98970921; eV
Login required19-Nov-2024/Ag/111/K_3_H2O/GC_DFT/2_1/CO optSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complexGeometry optimizationDFT--253.78639258; eV
Login required19-Nov-2024/Ag/111/K_3_H2O/GC_DFT/2_1/CO2 optSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complexGeometry optimizationDFT--262.39876779; eV
Login required19-Nov-2024/Ag/111/K_3_H2O/GC_DFT/2_1/COOH optSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complexGeometry optimizationDFT--264.87176767; eV
Login required19-Nov-2024/Ag/111/K_3_H2O/GC_DFT/2_1/H_ optSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complexGeometry optimizationDFT--241.84392476; eV
Login required19-Nov-2024/Ag/111/K_3_H2O/GC_DFT/2_6/CO optSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complexGeometry optimizationDFT--252.45618589; eV
Login required19-Nov-2024/Ag/111/K_3_H2O/GC_DFT/2_6/CO2 optSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complexGeometry optimizationDFT--260.82719172; eV
Login required19-Nov-2024/Ag/111/K_3_H2O/GC_DFT/2_6/COOH optSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complexGeometry optimizationDFT--263.57767245; eV
Login required19-Nov-2024/Ag/111/K_3_H2O/GC_DFT/2_6/H_ optSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complexGeometry optimizationDFT--240.72640613; eV
Login required19-Nov-2024/Ag/111/K_3_H2O/GC_DFT/2_85/CO optSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complexGeometry optimizationDFT--251.90011195; eV
Login required19-Nov-2024/Ag/111/K_3_H2O/GC_DFT/2_85/CO2 optSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complexGeometry optimizationDFT--260.15816403; eV
Login required19-Nov-2024/Ag/111/K_3_H2O/GC_DFT/2_85/COOH optSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complexGeometry optimizationDFT--263.03386604; eV
Login required19-Nov-2024/Ag/111/K_3_H2O/GC_DFT/2_85/H_ optSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complexGeometry optimizationDFT--240.14556894; eV
Login required19-Nov-2024/Ag/111/K_3_H2O/GC_DFT/3_1/CO optSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complexGeometry optimizationDFT--251.42405667; eV
Showing results 4329 to 4348 of 93714 < previous   next >