Molecular orbital theory study on surface complex structures of phosphates to iron hydroxides: Calculation of vibrational frequencies and adsorption energies

Langmuir

Volumn 20, Issue 21, 2004, Pages 9249-9254

  Kwon, Kideok D ^a   Kubicki, James D ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANION ABSORPTION; COMPLEX STRUCTURE; MOLECULAR ORBITAL THEORY; VIBRATION FREQUENCIES;

ADSORPTION; IRON; MOLECULAR VIBRATIONS; PH EFFECTS; PHOSPHATES; PROBABILITY DENSITY FUNCTION; X RAY PHOTOELECTRON SPECTROSCOPY;

SURFACE STRUCTURE;

FERRIC HYDROXIDE; FERRIC ION; PHOSPHATE;

ADSORPTION; ARTICLE; CHEMICAL MODEL; CHEMISTRY; PH; QUANTUM THEORY; SURFACE PROPERTY; THERMODYNAMICS; VIBRATION;

ADSORPTION; FERRIC COMPOUNDS; HYDROGEN-ION CONCENTRATION; MODELS, CHEMICAL; PHOSPHATES; QUANTUM THEORY; SURFACE PROPERTIES; THERMODYNAMICS; VIBRATION;

ABSORPTION; IRON; PH; PHOSPHATES; PHOTOELECTRONS; PROBABILITY; SURFACE STRUCTURE; X RAYS;

EID: 6444243620     PISSN: 07437463     EISSN: None     Source Type: Journal    
DOI: 10.1021/la0487444     Document Type: Article

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