Theoretical insight into the coordination of cyclic β-D-glucose to [Al(OH)(aq)]2+ and [Al(OH)2(aq)]1+ ions

Journal of Physical Chemistry B

Volumn 118, Issue 48, 2014, Pages 13890-13902

  He, Meng Fu ^a   Fu, Hong Quan ^b   Su, Ben Fang ^b   Yang, Hua Qing ^b   Tang, Jin Qiang ^a   Hu, Chang Wei ^a  

^a Sichuan University   (China)

^b SICHUAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CHARGE TRANSFER; COMPUTER SIMULATION; CONTINUUM MECHANICS; GLUCOSE; ION EXCHANGE; IONS; LIGANDS; MOLECULAR DYNAMICS; OXYGEN; POLARIZATION; QUANTUM CHEMISTRY;

COORDINATED COMPLEXES; COORDINATION COMPLEX; LIGAND COORDINATION; LONE PAIR ELECTRONS; MOLECULAR DYNAMICS SIMULATIONS; POLARIZABLE CONTINUUM MODEL; POLARIZATION EFFECT; QUANTUM CHEMICAL CALCULATIONS;

ALUMINUM;

EID: 84914811905     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp5060099     Document Type: Article

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