Journal
CHEMICAL COMMUNICATIONS
Volume -, Issue 22, Pages 2231-2233Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/b705037b
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DFT(B3PW91) calculations show that release of H-2 is greatly favored thermodynamically in five membered rings over six and by the incorporation of N atoms into the rings, either as ring atoms or as ring substituents, particularly in 1,3 positions.
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