Computational Approaches in Supramolecular Chemistry
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Publisher
Springer Netherlands
Link
http://link.springer.com/content/pdf/10.1007/978-94-011-1058-7.pdf
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1. Kinetic Modeling of Conversion of Levulinic Acid to Valeric Acid in Supercritical Water Using the Density Functional Theory Framework;Industrial & Engineering Chemistry Research;2020-09-11
2. Supramolecular self-assembly of water-soluble cavitands: investigated by molecular dynamics simulation;Journal of Inclusion Phenomena and Macrocyclic Chemistry;2017-08-31
3. The effect of solvent heterogeneity on the solvation and complexation of alkali cations by 18-crown-6: a simulation study in the 90 : 10 chloroform/methanol mixture;New Journal of Chemistry;2016
4. Computational study of ion-pair recognition by heteroditopic calix[4]diquinone derivative;Computational and Theoretical Chemistry;2013-08
5. Decomplexation and complexation of alkali metal cations by a crown-ether-type podand in dichloromethane: a steered molecular dynamics study;Theoretical Chemistry Accounts;2012-02-25
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