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Volumn 102, Issue 7, 1998, Pages 1119-1123

Cation affinities of [16]starand model. Comparison with 12-crown-4: Crucial role of dipolar moiety orientations

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; CROWN ETHERS; LITHIUM; MOLECULAR ORIENTATION; MOLECULAR STRUCTURE; SODIUM;

EID: 0032003734     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp972591u     Document Type: Review
Times cited : (46)

References (49)
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    • note
    • + dose not alter the size of the cavity of the model starand (the actual change is only 0.0003 Å decrease). This discussion follows in the text.
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    • Ph.D. dissertation, Pohang University of Science and Technology, Korea
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    • note
    • There are some differences in the HF and MP2 energies, in particular near the on-set region of the hard-wall potential because the MP2 van der Waals radius can be slightly different from the HF one. But these differences are not important in our discussion.


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