Solvation Effects on Molecules and Biomolecules

Computational Methods and Applications

  • Sylvio Canuto

Part of the Challenges and Advances in Computational Chemistry and Physics book series (COCH, volume 6)

Table of contents

  1. Front Matter
    Pages i-x
  2. Piet Th. Van Duijnen, Marcel Swart, Lasse Jensen
    Pages 39-102
  3. Axel Bidon-Chanal, Jose MarÍa LÓpez, Modesto Orozco, F. Javier Luque
    Pages 103-113
  4. Silvia Gomes EstÁcio, Hugo F.M.C. Martiniano, Paulo Cabral Do Couto, Benedito JOSÉ Costa Cabral
    Pages 115-133
  5. Aurora MuÑoz Losa, Ignacio Fdez. GalvÁn, M. Elena MartÍn, Manuel A. Aguilar
    Pages 135-157
  6. Kaline Coutinho, Roberto Rivelino, Herbert C. Georg, Sylvio Canuto
    Pages 159-189
  7. Andrea Amadei, Massimiliano Aschi, Alfredo Di Nola
    Pages 191-213
  8. THOMAS S. HOFER, BERNHARD R. RANDOLF, BERND M. RODE
    Pages 247-278
  9. Hossein Eslami, Florian MÜller-Plathe
    Pages 279-320
  10. Daniel Tunega, Adelia J. A. Aquino, Georg Haberhauer, Martin H. Gerzabek, Hans Lischka
    Pages 321-347
  11. Ana C. Furlan, Frank W. FÁvero, Javier Rodriguez, Daniel Laria, Munir S. Skaf
    Pages 433-453
  12. GUSTAVO M. SEABRA, ROSS C. WALKER, ADRIAN E. ROITBERG
    Pages 507-518
  13. Back Matter
    Pages 519-536

About this book

Introduction

Solvation Effects on Molecules and Biomolecules provides a comprehensive overview of state-of-the-art molecular modeling methodologies which are most relevant to handling solvation properties of molecules and biomolecules. The quantum mechanics and molecular simulations herein are presented by international experts. The chapters contain detailed reviews of the developments of various techniques, combining quantum mechanics and statistical mechanics methods which are commonly called upon to deal with various solvation problems including free energy studies and supercritical solvents.

Modern perspectives of the latest methods used for studying molecular properties, structure, and spectroscopy in liquid systems, (including solvation free energies of different physico-chemical processes) are presented in detail. By outlining the essential theoretical framework and technical details, together with practical applications, Solvation Effects on Molecules and Biomolecules serves as an essential guide in the promotion of interactions between theoretical and experimental groups.

Solvation Effects on Molecules and Biomolecules thus forms a powerful resource for graduate students and fledgling researchers and is also an excellent companion for research professionals engaged in computational chemistry, material science, nanotechnology, physics, drug design, and molecular biochemistry (as well as attracting advanced undergraduate students working in these fields).

Keywords

Cluster Hydra free-energy studies solvation chemistry solvation effects solvation properties of biomolecules spectroscopy supercritical solvents

Editors and affiliations

  • Sylvio Canuto
    • 1
  1. 1.Instituto de FísicaUniversidade de São PauloSão PauloBrazil

Bibliographic information

  • DOI https://doi.org/10.1007/978-1-4020-8270-2
  • Copyright Information Springer Science+Business Media B.V. 2008
  • Publisher Name Springer, Dordrecht
  • eBook Packages Chemistry and Materials Science
  • Print ISBN 978-1-4020-8269-6
  • Online ISBN 978-1-4020-8270-2
  • About this book