PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 30553257-5 2018 Moreover, the effect of a so-called single atom alloy on the reactivity of methane is investigated by making predictions for CHD3 on Pt-Cu(111) and Pd-Cu(111). Methane 75-82 chromodomain helicase DNA binding protein 3 Homo sapiens 125-129 30195319-0 2018 Methane on a stepped surface: Dynamical insights on the dissociation of CHD3 on Pt(111) and Pt(211). Methane 0-7 chromodomain helicase DNA binding protein 3 Homo sapiens 72-76 26827223-3 2016 We focus here on the effect that the exchange-correlation functional has on the reactivity of methane on a metal surface, using CHD3 + Pt(111) as a test case. Methane 94-101 chromodomain helicase DNA binding protein 3 Homo sapiens 128-132 29722776-5 2018 The procedure is demonstrated on the CH4, CD4, CH3D and CHD3 isotopologs of methane using three reduced-dimensional models, which were previously used in quantum reactive scattering studies of the CH4 + X CH3 + HX type reactions. Methane 76-83 chromodomain helicase DNA binding protein 3 Homo sapiens 56-60 35105091-4 2022 We test the robustness and accuracy of the method by computing the integral cross sections for the H/F + CH4/CHD3 reactions where the methane molecule is either initially in its vibrational ground or excited state (C-H stretch). Methane 134-141 chromodomain helicase DNA binding protein 3 Homo sapiens 109-113 26269970-5 2014 The comparison suggests the use of the sudden approximation for treating the rotations even though CHD3 has large rotational constants and yields an estimated reaction barrier of 0.9 eV for CH4 + Pt(111). Methane 190-193 chromodomain helicase DNA binding protein 3 Homo sapiens 99-103 15267839-4 2004 For isotopomers containing CH3D and CHD3, two K = 0 components were recorded, correlating to the j(k) = 0(0) and 1(1) rotational levels of free methane (k corresponds to the projection of j onto the C3 axis of CH3D and CHD3). Methane 144-151 chromodomain helicase DNA binding protein 3 Homo sapiens 36-40 15267839-4 2004 For isotopomers containing CH3D and CHD3, two K = 0 components were recorded, correlating to the j(k) = 0(0) and 1(1) rotational levels of free methane (k corresponds to the projection of j onto the C3 axis of CH3D and CHD3). Methane 144-151 chromodomain helicase DNA binding protein 3 Homo sapiens 219-223