A theoreticians view of the Cemediated activation of the N-H bond in ammonia

Publication year: 2011 Source: Computational and Theoretical Chemistry, Available online 1 October 2011 Wei-Peng Ma, Yong-Cheng Wang, Ling-Ling Lv, Yan-Zi Jin, Jing-Yan Nian, … The insertion reaction of Ce(H, 4f5d) into the N-H bond of ammonia on the doublet and quartet potential energy surfaces has been investigated at the density functional theory using the hybrid exchange correlation functional B3LYP level

Publication year: 2011 Source: Computational and Theoretical Chemistry, Available online 1 October 2011 Wei-Peng Ma, Yong-Cheng Wang, Ling-Ling Lv, Yan-Zi Jin, Jing-Yan Nian, … The insertion reaction of Ce(H, 4f5d) into the N-H bond of ammonia on the doublet and quartet potential energy surfaces has been investigated at the density functional theory using the hybrid exchange correlation functional B3LYP level

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A theoreticians view of the Cemediated activation of the N-H bond in ammonia

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