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The mechanism of H2 dissociation and adsorption on Mn-modified Ni(111) surface: A density functional theory-based investigationPADAMA, Allan Abraham B; KASAI, Hideaki; KAWAI, Hiroyuki et al.Surface science. 2012, Vol 606, Num 1-2, pp 62-68, issn 0039-6028, 7 p.Article

Does confinement effect always enhance catalytic activity? A theoretical study of H2 dissociation on CNT supported gold clustersZHE LI; CHEN, Zhao-Xu; KANG, Guo-Jun et al.Catalysis today (Print). 2011, Vol 165, Num 1, pp 25-31, issn 0920-5861, 7 p.Article

Effects of hydroxyl group on H2 dissociation on graphene: A density functional theory studyNING WANG; LIKUN WANG; QINGGANG TAN et al.Journal of energy chemistry. 2013, Vol 22, Num 3, pp 493-497, issn 2095-4956, 5 p.Article

A density functional theory study of the hydrodesulfurization reaction of dibenzothiophene to biphenyl on a single-layer NiMoS clusterWEBER, Thomas; VAN VEEN, J. A. Rob.Catalysis today. 2008, Vol 130, Num 1, pp 170-177, issn 0920-5861, 8 p.Conference Paper

The HDS mechanism : Which auxiliary process takes place -sulfur isotopic exchange or replacement -and why is it important to know it?KOGAN, Victor M; ISAGULIANTS, George V.Catalysis today. 2008, Vol 130, Num 1, pp 243-248, issn 0920-5861, 6 p.Conference Paper

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