The role of structured water in the calibration and interpretation of theoretical IR spectra

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 65, Issue 2, 2006, Pages 324-332

  Wander, Matthew C F ^a   Kubicki, James D ^a,b   Schoonen, Martin A A ^a  

^a STONY BROOK UNIVERSITY   (United States)

^b PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

Acetate; ATR FTIR; DFT; Halogenated acetates; Solvation sphere

Indexed keywords

DENSITY FUNCTIONAL THEORY; HALOGENATED ACETATES; INFRARED (IR) SPECTRA; SOLVATION SPHERE;

FOURIER TRANSFORM INFRARED SPECTROSCOPY; INFRARED RADIATION; MOLECULAR STRUCTURE; ORGANIC COMPOUNDS; PROBABILITY DENSITY FUNCTION; SALTS; SOLVENTS;

WATER;

ACETIC ACID DERIVATIVE; BROMIDE; BROMOACETIC ACID; CHLOROACETIC ACID; FLUORIDE SODIUM; FLUOROACETIC ACID; GERMANIUM; ION; SODIUM BROMIDE; SODIUM DERIVATIVE; SOLVENT; WATER;

ARTICLE; CALIBRATION; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; INFRARED SPECTROSCOPY; QUANTUM THEORY; SOLUTION AND SOLUBILITY; STANDARD;

ACETATES; ACETIC ACIDS; BROMIDES; CALIBRATION; FLUOROACETATES; GERMANIUM; IONS; MODELS, CHEMICAL; MODELS, MOLECULAR; QUANTUM THEORY; SODIUM COMPOUNDS; SODIUM FLUORIDE; SOLUTIONS; SOLVENTS; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; WATER;

EID: 33747886060     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2005.10.048     Document Type: Article

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