Browsing by Subject Cathecholase

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Showing results 45 to 64 of 171 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_4_TS45 Freq_TS45e_H04_S12gAngelone, DavideADF; 2014Single point TS QuildDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_4_TS45 Freq_TS45e_H06_S12gAngelone, DavideADF; 2013; 01Single point TSDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_4_TS45 Freq_TS45i_H02_S12gAngelone, DavideADF; 2014Single point TS QuildDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_4_TS45 Freq_TS45i_H04_S12gAngelone, DavideADF; 2014Single point TS QuildDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_4_TS45 Freq_TS45i_H06_S12gAngelone, DavideADF; 2013; 01Single point TSDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_4_TS45 SP_TS45e_H02_S12gAngelone, DavideADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_4_TS45 SP_TS45e_H04_S12gAngelone, DavideADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_4_TS45 SP_TS45e_H06_S12gAngelone, DavideADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_4_TS45 SP_TS45i_H02_S12gAngelone, DavideADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_4_TS45 SP_TS45i_H04_S12gAngelone, DavideADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_4_TS45 SP_TS45i_H06_S12gAngelone, DavideADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_5 Freq_step5e_H02_S12gAngelone, DavideADF; 2013; 01Single point MinimumDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_5 Freq_step5i_H02_S12gAngelone, DavideADF; 2014Single point TS QuildDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_5 Freq_step5i_H04_S12gAngelone, DavideADF; 2014Single point TS QuildDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_5 Freq_step5i_H06_S12gAngelone, DavideADF; 2014Single point TS QuildDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_5 SP_step5e_H02_S12gAngelone, DavideADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_5 SP_step5e_H04_S12gAngelone, DavideADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_5 SP_step5e_H06_S12gAngelone, DavideADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_5 SP_step5i_H02_S12gAngelone, DavideADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_5 SP_step5i_H04_S12gAngelone, DavideADF; 2016Single pointDFTTZ2P-