Titlebook: Computational Approaches in Supramolecular Chemistry; Georges Wipff Book 1994 Springer Science+Business Media Dordrecht 1994 Dynamics.Mont

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Nomadic

W. J. Plumbridge,R. J. Matela,A. Westwatervity and efficiency in metal ion recognition by calixarene-based ligands. The combination of polar binding groups (ester and amide) on a polar calixarene structure (cone) produces ionophores which are selective toward cations with high charge density such as sodium and calcium. In calix[4]arene crow

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dry-eye

foliage

Bone-Scan

W. J. Plumbridge,R. J. Matela,A. Westwatertals, and for porphyrin associations. The important role as well as deficiencies of force field methods within this LFER-type of analysis of non-covalent interactions is discussed, also with respect to semiempirical NMR shielding calculations.

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Mechanical Properties of Bulk Soldersin water. Calculations of potentials of mean force predict complexes to exist in each case at contact separations. The energetics and optimal structures for the gas-phase complexes have also been characterized. Differences with the solution structures are discussed along with general implications for host-guest chemistry.

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