An MP2 and DFT study of heterocyclic hydrogen complexes CnHmY-HX with n=2, m=4 or 5, Y=O, S or N and X=F or Cl.

Oliveira, B G; Santos, E C S; Duarte, E M; Araújo, R C M U; Ramos, M N; Carvalho, A B

Oliveira, B G; Santos, E C S; Duarte, E M; Araújo, R C M U; Ramos, M N; Carvalho, A B.

Affiliation

Oliveira BG; Departamento de Química, Universidade Federal da Paraíba, 58036-300-João Pessoa-PB, Brazil.

Spectrochim Acta A Mol Biomol Spectrosc ; 60(8-9): 1883-7, 2004 Jul.

Article in En | MEDLINE | ID: mdl-15248964

Subject(s)

Heterocyclic Compounds, 1-Ring/chemistry; Electrochemistry; Hydrocarbons, Chlorinated/chemistry; Hydrocarbons, Fluorinated/chemistry; Hydrogen Bonding; Molecular Structure; Spectrum Analysis

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PubMed Links

Collection: 01-internacional Database: MEDLINE Main subject: Heterocyclic Compounds, 1-Ring Language: En Journal: Spectrochim Acta A Mol Biomol Spectrosc Year: 2004 Document type: Article

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