Geometrical and vibrational features of phosphate, phosphorothioate and phosphorodithioate linkages interacting with hydrated cations: A DFT study

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 73, Issue 5, 2009, Pages 805-814

  Dhaouadi, Zoubeida ^a   Nsangou, Mama ^b   Hernández, Belén ^c   Pflüger, Fernando ^c   Liquier, Jean ^c   Ghomi, Mahmoud ^c  

^a FACULTÉ DES SCIENCES DE TUNIS   (Tunisia)

^b UNIVERSITY OF NGAOUNDERE   (Cameroon)

^c CNRS/LCSB/UMR 7033   (France)

Author keywords

Ab initio calculations; Density functional theory; Hydration; Mono and divalent counterions; Nucleic acids; Phosphate; Phosphorodithioate; Phosphorothioate; Vibrational spectra

Indexed keywords

CALCULATIONS; HYDRATION; LIGHT ABSORPTION; NUCLEIC ACIDS; PHOSPHATES; POSITIVE IONS; SOLUTIONS; VIBRATIONAL SPECTRA;

AB INITIO CALCULATIONS; DIELECTRIC CONTINUUM; DIMETHYL PHOSPHATES; DIVALENT COUNTERIONS; PHOSPHORODITHIOATE; PHOSPHOROTHIOATES; VIBRATIONAL FEATURES; VIBRATIONAL WAVENUMBERS;

DENSITY FUNCTIONAL THEORY;

EID: 67649518054     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2009.04.001     Document Type: Article

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