Ligand close packing, molecular compactness, the methyl tilt, molecular conformations, and a new model for the anomeric effect

Chemistry - A European Journal

Volumn 16, Issue 12, 2010, Pages 3663-3675

  Gillespie, Ronald J ^a   Robinson, Edward A ^b,c   Pilmé, Jalien ^d,e  

^a MCMASTER UNIVERSITY   (Canada)

^b University of Toronto ^*  (United Kingdom)

^c UNIVERSITY OF TORONTO   (Canada)

^d UNIVERSITÉ LYON 1   (France)

^e SORBONNE UNIVERSITÉ   (France)

Author keywords

Anomeric effect; Density functional calculations; Ligand close packing; Molecular conformations; Molecular structure

Indexed keywords

ATOMS; CONFORMATIONS; DENSITY FUNCTIONAL THEORY; MOLECULAR STRUCTURE; MOLECULES; STRUCTURE (COMPOSITION);

ANOMERIC EFFECT; APPROXIMATE DESCRIPTIONS; EQUILIBRIUM GEOMETRIES; EQUILIBRIUM POSITIONS; LIGAND-CLOSE PACKING; MOLECULAR CONFORMATION; RELATIVE ENERGIES; REPULSIVE FORCES;

LIGANDS;

EID: 77949795919     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200902599     Document Type: Article

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