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Recent Advances in the Understanding of Hydrophobic and Hydrophilic Effects: A Theoretical and Computer Simulation Perspective

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Book cover Novel Approaches to the Structure and Dynamics of Liquids: Experiments, Theories and Simulations

Part of the book series: NATO Science Series ((NAII,volume 133))

Abstract

The study of solvation phenomena is fundamental to the local microscopic structure and dynamics of liquids and aqueous solutions and the chemical reactions that take place in them. Here we review some of the recent theoretical and computer simulation advances in the study of hydrophobic effects in small relatively simple non-polar molecules in aqueous solution. We also summarize recent efforts in understanding aqueous DMSO solutions as a system where both hydrophobic and hydrophilic effects seem to be present.

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Authors and Affiliations

  1. Compass House, De Novo Pharmaceuticals Ltd., Vision Park, Chivers Way, Histon, Cambridge, CB4 9ZR, UK

    Ricardo L. Mancera

  2. Laboratory of Physical Chemistry, Department of Chemistry, University of Athens, Panepistimiopolis, 157-71, Athens, Greece

    Michalis Chalaris & Jannis Samios

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  1. Ricardo L. Mancera
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Editors and Affiliations

  1. Department of Chemistry, Physical Chemistry, University of Athens, Athens, Greece

    Jannis Samios (Chairman of the NATO-ASI) (Chairman of the NATO-ASI)

  2. Lomonosov Moscow State University, Moscow, Russia

    Vladimir A. Durov (Vice-Chairman of the NATO-ASI) (Vice-Chairman of the NATO-ASI)

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Mancera, R.L., Chalaris, M., Samios, J. (2004). Recent Advances in the Understanding of Hydrophobic and Hydrophilic Effects: A Theoretical and Computer Simulation Perspective. In: Samios, J., Durov, V.A. (eds) Novel Approaches to the Structure and Dynamics of Liquids: Experiments, Theories and Simulations. NATO Science Series, vol 133. Springer, Dordrecht. https://doi.org/10.1007/978-1-4020-2384-2_21

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