Theoretical study on hydration of two particular diazanaphthalenes

Journal of Molecular Structure: THEOCHEM

Volumn 723, Issue 1-3, 2005, Pages 211-216

  Spedaletti, César A ^a   Estrada, Mario R ^a   Zamarbide, Graciela N ^a   Garro, Juan C ^a   Ponce, Carlos A ^a   Vert, Francisco Tomas ^b  

^a UNIVERSIDAD NACIONAL DE SAN LUIS   (Argentina)

^b UNIVERSITY OF VALENCIA   (Spain)

Author keywords

Cinnoline; DFT and MP2 ab initio calculations; Diazanaphthalene; Geometry optimization; HF; Hydration; Phthalazine; Protonation

Indexed keywords

EID: 18244362557     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.12.042     Document Type: Article

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