Structural and topological studies of methionine radical cations in dipeptides: Electron sharing in two-center three-electron bonds

Journal of Physical Chemistry A

Volumn 114, Issue 27, 2010, Pages 7359-7368

  Fourré, Isabelle ^a,b   Bergès, Jacqueline ^a,b,c   Houée Levin, Chantal ^d,e  

^a SORBONNE UNIVERSITÉ   (France)

^b LABORATOIRE DE CHIMIE THÉORIQUE   (France)

^c UNIVERSITÉ PARIS DESCARTES   (France)

^d UNIVERSITÉ PARIS SACLAY   (France)

^e CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION WAVELENGTHS; AIM TOPOLOGICAL; CARBOXYLATE GROUPS; CONTINUUM MODEL; DI-PEPTIDES; ELECTRON BOND; ELECTRON SHARING; ELECTROSTATIC INTERACTIONS; GEOMETRY OPTIMIZATION; LOCAL STRUCTURE; ONE-ELECTRON OXIDATION; RADICAL CATIONS; SULFUR ATOMS; SULFUR-CENTERED RADICALS;

CARBOXYLATION; CONTINUUM MECHANICS; ELECTRIC FURNACES; ELECTROSTATICS; OXYGEN; PEPTIDES; POSITIVE IONS; SULFUR; TOPOLOGY;

ELECTRONS;

CATION; DIPEPTIDE; FREE RADICAL; METHIONINE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; ELECTRON; OXIDATION REDUCTION REACTION;

CATIONS; COMPUTER SIMULATION; DIPEPTIDES; ELECTRONS; FREE RADICALS; METHIONINE; MODELS, CHEMICAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; OXIDATION-REDUCTION;

EID: 77954429054     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp911983a     Document Type: Article

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