Computational 17O-NMR spectroscopy of organic acids and peracids: Comparison of solvation models

Physical Chemistry Chemical Physics

Volumn 15, Issue 4, 2013, Pages 1130-1140

  Baggioli, Alberto ^a   Crescenzi, Orlando ^b   Field, Martin J ^c   Castiglione, Franca ^a   Raos, Guido ^a  

^a POLITECNICO DI MILANO   (Italy)

^b UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^c INSTITUT DE BIOLOGIE STRUCTURALE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ACETIC ACID; HYDROGEN PEROXIDE; LACTIC ACID; OXYGEN; PERACETIC ACID; SOLVENT; WATER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; THERMODYNAMICS;

ACETIC ACID; HYDROGEN PEROXIDE; LACTIC ACID; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, CHEMICAL; OXYGEN ISOTOPES; PERACETIC ACID; QUANTUM THEORY; SOLVENTS; THERMODYNAMICS; WATER;

EID: 84871821575     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c2cp43021e     Document Type: Article

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