Browsing by Author Angelone, Davide

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Jul-2017Freq+Energy_O2(triplet)-reactant_S12gAngelone, DavideADF; 2016Single point Minimum QuildDFTTZ2P-
thumbnail.jpeg22-Jul-2017Freq_extradiol-product_S12gAngelone, DavideADF; 2013; 01Single point TSDFTTZ2P-
thumbnail.jpeg22-Jul-2017Freq_intradiol-product_S12gAngelone, DavideADF; 2013; 01Single point TSDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_0 Freq_step0_H02_S12gAngelone, DavideADF; 2013; 01Single point MinimumDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_0 Freq_step0_H04_S12gAngelone, DavideADF; 2013; 01Single point MinimumDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_0 Freq_step0_H06_S12gAngelone, DavideADF; 2013; 01Single point TSDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_0 SP_step0_H02_S12gAngelone, DavideADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_0 SP_step0_H04_S12gAngelone, DavideADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_0 SP_step0_H06_S12gAngelone, DavideADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_1 Freq_step1_H04_S12gAngelone, DavideADF; 2013; 01Single point TSDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_1 Freq_step1_H06_S12gAngelone, DavideADF; 2013; 01Single point TSDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_1 Freq_step1_H08_S12gAngelone, DavideADF; 2013; 01Single point MinimumDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_1 SP_step1_H04_S12gAngelone, DavideADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_1 SP_step1_H06_S12gAngelone, DavideADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_1 SP_step1_H08_S12gAngelone, DavideADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_2 Freq_step2_H02_S12gAngelone, DavideADF; 2013; 01Single point MinimumDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_2 Freq_step2_H04_S12gAngelone, DavideADF; 2013; 01Single point MinimumDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_2 Freq_step2_H06_S12gAngelone, DavideADF; 2013; 01Single point MinimumDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_2 STEP_2Angelone, DavideADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2H2/STEP_2_TS23 Freq_TS23_H02_S12gAngelone, DavideADF; 2013; 01Single point TSDFTTZ2P-