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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/Methylations 2,4-TDAdiss+DMCdissRellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1335.39573171; eV
thumbnail.jpeg/Methylations TS_2,4-TDARellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1334.59158561; eV
thumbnail.jpeg/Methylations MeTDA2_adsRellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1336.71142080; eV
thumbnail.jpeg/Methylations MC2_diss+DMCdissRellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1375.08827741; eV
thumbnail.jpeg/Methylations MeMC4_adsRellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1376.07674672; eV
thumbnail.jpeg/Methylations TS_MC2Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1374.13792353; eV
thumbnail.jpeg/Clean_Surfaces CeZrO2(111)_4x4Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--1178.23106099; eV
thumbnail.jpeg/DMC_dissociation DMC_adsRellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1248.42314084; eV
thumbnail.jpeg/DMC_dissociation TSRellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1248.20468769; eV
thumbnail.jpeg/DMC_dissociation DMC_dissociatedRellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1248.48473249; eV
thumbnail.jpeg/2,4-TDA_to_MC2 2,4-TDA_ads_pRellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1296.72095034; eV
thumbnail.jpeg/2,4-TDA_to_MC2 2,4-TDA_diss_pRellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1296.21956558; eV
thumbnail.jpeg/2,4-TDA_to_MC2 TS1Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1296.18945490; eV
thumbnail.jpeg/2,4-TDA_to_MC2 p-2,4-TDA_diss+DMC_dissRellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1335.48459667; eV
thumbnail.jpeg/2,4-TDA_to_MC2 MC2_adsorbedRellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1335.95718730; eV
thumbnail.jpeg/2,4-TDA_to_MC2 TS2Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1335.19521056; eV
thumbnail.jpeg/2,4-TDA_to_MC1 2,4-TDA_ads_oRellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1296.69154900; eV
thumbnail.jpeg/2,4-TDA_to_MC1 2,4-TDA_diss_oRellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyDFT--1296.18389268; eV
thumbnail.jpeg/2,4-TDA_to_MC1 TS1Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1296.17765033; eV
thumbnail.jpeg/2,4-TDA_to_MC1 o-2,4-TDA_diss+DMC_dissRellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1374.65025834; eV
thumbnail.jpeg/2,4-TDA_to_MC1 TS2Rellán, Marcosvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyDFT--1374.36052925; eV
thumbnail.jpeg/2,4-TDA_to_MC1 MC1_adsRellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1375.17236214; eV
thumbnail.jpeg/MC2_to_BC MC2_adsRellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1336.01616019; eV
thumbnail.jpeg/MC2_to_BC MC2_dissRellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1335.52389257; eV
thumbnail.jpeg/MC2_to_BC TS1Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1335.49702340; eV
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