Can functionalized cucurbituril bind actinyl cations efficiently? a density functional theory based investigation

Journal of Physical Chemistry A

Volumn 116, Issue 17, 2012, Pages 4388-4395

  Sundararajan, Mahesh ^a   Sinha, Vivek ^b   Bandyopadhyay, Tusar ^a   Ghosh, Swapan K ^a,c  

^a BHABHA ATOMIC RESEARCH CENTRE   (India)

^b INDIAN INSTITUTE OF SCIENCE EDUCATION AND RESEARCH KOLKATA   (India)

^c HOMI BHABHA NATIONAL INSTITUTE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ACTINYLS; BINDING AFFINITIES; CUCURBITURILS; CYCLOHEXYL; ENERGY EVALUATION; FUNCTIONALIZED; HOST MOLECULES; OXIDATION STATE;

DENSITY FUNCTIONAL THEORY; FLUORINE; MOLECULES; POSITIVE IONS; URANIUM;

BINDING ENERGY;

ACTINIUM; CATION; CUCURBITURIL; MACROCYCLIC COMPOUND; URANIUM DERIVATIVE;

ARTICLE; CHEMISTRY; QUANTUM THEORY;

ACTINIUM; CATIONS; MACROCYCLIC COMPOUNDS; QUANTUM THEORY; URANIUM COMPOUNDS;

EID: 84860538881     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp3015194     Document Type: Article

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