Electron densities of three B12 vitamins

Journal of Physical Chemistry A

Volumn 113, Issue 29, 2009, Pages 8366-8378

  Mebs, Stefan ^a   Henn, Julian ^b   Dittrich, Birger ^b   Paulmann, Carsten ^c   Luger, Peter ^a  

^a FREIE UNIVERSITÄT BERLIN   (Germany)

^b UNIVERSITY OF GÖTTINGEN   (Germany)

^c UNIVERSITY OF HAMBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ADENOSYLCOBALAMIN; AXIAL LIGAND; BACK-BONDING; BOND CLEAVAGES; COFACTORS; CYANO LIGANDS; DATA SETS; DENSITY-FUNCTIONAL CALCULATIONS; ELECTRON DENSITIES; ELECTRON LOCALIZABILITY INDICATOR; ELECTRONIC DIFFERENCES; ENERGY DENSITY; GEOMETRY OPTIMIZATION; HIGH-ORDER; HIGHER-DEGREE; LEVEL DENSITY; LOCAL SOURCE; MACROCYCLE; MODEL COMPOUND; REACTION PATHS; SINGLE-POINT CALCULATIONS; SOLVENT BULKS; SOURCE FUNCTIONS; TOPOLOGICAL PARAMETERS; VERY LOW TEMPERATURES; X-RAY DATA COLLECTION;

ATOMS; CARRIER CONCENTRATION; DENSITY FUNCTIONAL THEORY; ELECTRON DENSITY MEASUREMENT; ELECTRONS; LIGANDS; NUTRITION; VITAMINS;

SET THEORY;

CYANOCOBALAMIN; LIGAND;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; ELECTRON; QUANTUM THEORY;

ELECTRONS; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY; VITAMIN B 12;

EID: 67651052539     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp902433x     Document Type: Article

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