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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Apr-2022/adsorption/dithiols/hexdt/hexdt_znse_nicycp/monodentates/a hexdt_aCiotti, Anna; Sahm, Constantin; Badiani, Vivek; Sokołowski, Kamil; Neri, Gaia; Cowan, Alexander; Reisner, Erwinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complexGeometry optimizationDFT--677.46886414; eV
thumbnail.jpeg13-Apr-2022/adsorption/dithiols/hexdt/hexdt_znse_nicycp/monodentates/c hexdt_cCiotti, Anna; Sahm, Constantin; Badiani, Vivek; Sokołowski, Kamil; Neri, Gaia; Cowan, Alexander; Reisner, Erwinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 13 2018 10:28:32) complexGeometry optimizationDFT--677.35015322; eV
thumbnail.jpeg13-Apr-2022/adsorption/dithiols/hexdt/hexdt_znse/monodentate hexdt_monodentateCiotti, Anna; Sahm, Constantin; Badiani, Vivek; Sokołowski, Kamil; Neri, Gaia; Cowan, Alexander; Reisner, Erwinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 13 2018 10:28:32) complexGeometry optimizationDFT--264.40995038; eV
thumbnail.jpeg13-Apr-2022/adsorption/dithiols/hexdt/hexdt_znse/bidentate hexdt_bidentateCiotti, Anna; Sahm, Constantin; Badiani, Vivek; Sokołowski, Kamil; Neri, Gaia; Cowan, Alexander; Reisner, Erwinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 13 2018 10:28:32) complexGeometry optimizationDFT--264.98781976; eV
thumbnail.jpeg13-Apr-2022/adsorption/dithiols/hexdt/hexdt_znse/bidentate/frequency frequencyCiotti, Anna; Sahm, Constantin; Badiani, Vivek; Sokołowski, Kamil; Neri, Gaia; Cowan, Alexander; Reisner, Erwinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 13 2018 10:28:32) complexFrequenciesDFT--264.98879932; eV
thumbnail.jpeg13-Apr-2022/adsorption/dithiols/hexdt/hexdt_znse_nicycp/monodentates/g hexdt_gCiotti, Anna; Sahm, Constantin; Badiani, Vivek; Sokołowski, Kamil; Neri, Gaia; Cowan, Alexander; Reisner, Erwinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 13 2018 10:28:32) complexGeometry optimizationDFT--677.35950796; eV
thumbnail.jpeg13-Apr-2022/adsorption/dithiols/hexdt/hexdt_znse_nicycp/monodentates/f hexdt_fCiotti, Anna; Sahm, Constantin; Badiani, Vivek; Sokołowski, Kamil; Neri, Gaia; Cowan, Alexander; Reisner, Erwinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 13 2018 10:28:32) complexGeometry optimizationDFT--677.19901775; eV
thumbnail.jpeg13-Apr-2022/adsorption/dithiols/hexdt/hexdt_znse_nicycp/bidentates/cd bidentate_cdCiotti, Anna; Sahm, Constantin; Badiani, Vivek; Sokołowski, Kamil; Neri, Gaia; Cowan, Alexander; Reisner, Erwinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complexGeometry optimizationDFT--677.62585974; eV
thumbnail.jpeg13-Apr-2022/adsorption/dithiols/hexdt/hexdt_znse_nicycp/bidentates/ch bidentate_chCiotti, Anna; Sahm, Constantin; Badiani, Vivek; Sokołowski, Kamil; Neri, Gaia; Cowan, Alexander; Reisner, Erwinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 13 2018 10:28:32) complexGeometry optimizationDFT--677.94627852; eV
thumbnail.jpeg13-Apr-2022/adsorption/dithiols/hexdt/hexdt_znse_nicycp/bidentates/bd bidentate_bdCiotti, Anna; Sahm, Constantin; Badiani, Vivek; Sokołowski, Kamil; Neri, Gaia; Cowan, Alexander; Reisner, Erwinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complexGeometry optimizationDFT--677.75786997; eV
Results 61-70 of 125 (Search time: 0.001 seconds).