Ab initio study of hydroxyl torsional barriers and molecular properties of mono-and di-iodotyrosine

Journal of Physical Chemistry A

Volumn 115, Issue 45, 2011, Pages 12616-12623

  Pacios, Luis F ^a   Gómez, Pedro C ^b   Gálvez, Oscar ^c  

^a UNIVERSIDAD POLITÉCNICA DE MADRID   (Spain)

^b UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

^c INSTITUTO DE ESTRUCTURA DE LA MATERIA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO STUDY; AB-INITIO QUANTUM CALCULATIONS; ATOMIC CHARGE; BIOLOGICAL FUNCTIONS; DEIODINATION; ELECTRON DENSITIES; ELECTROSTATIC POTENTIALS; ENZYMATIC PROCESS; INTERNAL ROTATIONS; INTRAMOLECULAR HYDROGEN BOND; IODINE ATOMS; LIVING ORGANISMS; MOLECULAR PROPERTIES; ORGANIC SOURCES; PHENOL RINGS; POLARIZABILITIES; TORSIONAL BARRIERS;

AMINO ACIDS; ATOMS; BIOLOGY; HYDROGEN; HYDROGEN BONDS; INDUSTRIAL CHEMICALS; IODINE; PHENOLS;

CALCULATIONS;

HYDROXYL RADICAL; IODOTYROSINE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY;

HYDROXYL RADICAL; MOLECULAR STRUCTURE; MONOIODOTYROSINE; QUANTUM THEORY;

EID: 80855129509     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp2031225     Document Type: Article

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