Pyrimidine and halogenated pyrimidines near edge x-ray absorption fine structure spectra at C and N K-edges: Experiment and theory

Journal of Chemical Physics

Volumn 133, Issue 3, 2010, Pages

  Bolognesi, P ^a   O'Keeffe, P ^a,c   Ovcharenko, Y ^a   Coreno, M ^a   Avaldi, L ^a   Feyer, V ^b   Plekan, O ^b,d   Prince, K C ^b,e   Zhang, W ^a   Carravetta, V ^a  

^a CNR   (Italy)

^b SINCROTRONE TRIESTE   (Italy)

^c INSTITUTE OF ELECTRON PHYSICS   (Ukraine)

^d AARHUS UNIVERSITY   (Denmark)

^e UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY CALCULATIONS; ELECTRONIC AND GEOMETRICAL STRUCTURE; FUNCTIONALIZATIONS; HALOGEN ATOMS; INDIVIDUAL CHARACTERISTICS; INNER SHELL EXCITATION; MOLECULAR SITES; NEAR EDGE X-RAY ABSORPTION FINE STRUCTURE SPECTROSCOPIES; NEAR EDGE X-RAY ABSORPTION FINE STRUCTURES; PYRIMIDINE RING;

ABSORPTION; ABSORPTION SPECTROSCOPY; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRONEGATIVITY; HALOGENATION; X RAY ABSORPTION; X RAY ABSORPTION FINE STRUCTURE SPECTROSCOPY;

AROMATIC COMPOUNDS;

PYRIMIDINE; PYRIMIDINE DERIVATIVE;

ARTICLE; CHEMISTRY; HALOGENATION; QUANTUM THEORY; VIBRATION; X RAY ABSORPTION SPECTROSCOPY;

HALOGENATION; PYRIMIDINES; QUANTUM THEORY; VIBRATION; X-RAY ABSORPTION SPECTROSCOPY;

EID: 77956247384     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3442489     Document Type: Article

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