Force field representation of the UO22+ cation from free energy MD simulations in water. Tests on its 18-crown-6 and NO3− adducts, and on its calix[6]arene6− and CMPO complexes-Reference-Cited by-同舟云学术

Force field representation of the UO22+ cation from free energy MD simulations in water. Tests on its 18-crown-6 and NO3− adducts, and on its calix[6]arene6− and CMPO complexes

Published:1996-07 Issue:1-2 Volume:366 Page:55-63
ISSN:0166-1280
Container-title:Journal of Molecular Structure: THEOCHEM
language:en
Short-container-title:Journal of Molecular Structure: THEOCHEM

Author:

Guilbaud P.,Wipff G.

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference43 articles.

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2. Molecular Design of Specific Uranophiles

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5. Molecular dynamics study of ion capture from water by a model ionophore, tetraprotonated cryptand SC24

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