DFT study of proton transfer, cooperativity, and tautomerization in 2-pyridineselenol and 2-pyridinethiol ammonia and water clusters

Journal of Molecular Structure: THEOCHEM

Volumn 819, Issue 1-3, 2007, Pages 142-152

  Nsangou, M ^a   Dhaouadi, Z ^b   Jaidane N ^b   Ben Lakhdar, Z ^b  

^a UNIVERSITY OF NGAOUNDERE   (Cameroon)

^b FACULTÉ DES SCIENCES DE TUNIS   (Tunisia)

Author keywords

2 Hydroxypyridine 2 pyridone; 2 Pyridineselenol 2 pyridineselenone; 2 Pyridinethiol 2 pyridinethione; 6 311+G(d); B3LYP; DFT; Proton transfer; Tautomerization

Indexed keywords

EID: 34548404770     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.05.038     Document Type: Article

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