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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/adsorption/nicycp nicycp_adsorptionCiotti, 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) complexDFT--560.74579320; eV
thumbnail.jpeg/adsorption/dithiols/edt/edt_znse/monodentate/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) complexDFT--98.60598165; eV
thumbnail.jpeg/adsorption/dithiols/edt/edt_znse/monodentate edt_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) complexDFT--98.60803904; eV
thumbnail.jpeg/adsorption/dithiols/edt/edt_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) complexDFT--98.86678613; eV
thumbnail.jpeg/adsorption/dithiols/edt/edt_znse/bidentate edt_bidentateCiotti, Anna; Sahm, Constantin; Badiani, Vivek; Sokołowski, Kamil; Neri, Gaia; Cowan, Alexander; Reisner, Erwinvasp; 5.4.1; 24Jun15 (build Dec 20 2017 10:23:22) complexDFT--98.86939251; eV
thumbnail.jpeg/adsorption/dithiols/edt/edt_znse_nicycp/edt_hb edt_hbCiotti, 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) complexDFT--611.18453556; eV
thumbnail.jpeg/adsorption/dithiols/edt/edt_znse_nicycp/edt_h/monodentate/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) complexDFT--610.81813144; eV
thumbnail.jpeg/adsorption/dithiols/edt/edt_znse_nicycp/edt_h/monodentate 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) complexDFT--610.82396432; eV
thumbnail.jpeg/adsorption/dithiols/edt/edt_znse_nicycp/edt_h/bidentate 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) complexDFT--611.18453556; eV
thumbnail.jpeg/adsorption/dithiols/hexdt/hexdt_znse/monodentate/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) complexDFT--264.40348850; eV
thumbnail.jpeg/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) complexDFT--264.40995038; eV
thumbnail.jpeg/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) complexDFT--264.98879932; eV
thumbnail.jpeg/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) complexDFT--264.98781976; eV
thumbnail.jpeg/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) complexDFT--677.46886414; eV
thumbnail.jpeg/adsorption/dithiols/hexdt/hexdt_znse_nicycp/monodentates/b hexdt_bCiotti, 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) complexDFT--677.44052508; eV
thumbnail.jpeg/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) complexDFT--677.35015322; eV
thumbnail.jpeg/adsorption/dithiols/hexdt/hexdt_znse_nicycp/monodentates/d hexdt_dCiotti, 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) complexDFT--677.31719426; eV
thumbnail.jpeg/adsorption/dithiols/hexdt/hexdt_znse_nicycp/monodentates/e hexdt_eCiotti, 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) complexDFT--677.28911730; eV
thumbnail.jpeg/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) complexDFT--677.19901775; eV
thumbnail.jpeg/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) complexDFT--677.35950796; eV
thumbnail.jpeg/adsorption/dithiols/hexdt/hexdt_znse_nicycp/bidentates/ab bidentate_abCiotti, 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) complexDFT--677.82373167; eV
thumbnail.jpeg/adsorption/dithiols/hexdt/hexdt_znse_nicycp/bidentates/ah bidentate_ahCiotti, 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) complexDFT--677.62770936; eV
thumbnail.jpeg/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) complexDFT--677.75786997; eV
thumbnail.jpeg/adsorption/dithiols/hexdt/hexdt_znse_nicycp/bidentates/be bidentate_beCiotti, 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) complexDFT--677.85132451; eV
thumbnail.jpeg/adsorption/dithiols/hexdt/hexdt_znse_nicycp/bidentates/cg bidentate_cgCiotti, 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) complexDFT--677.71790284; eV
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