Highlights in Theoretical Chemistry

Theoretical Chemistry in Belgium

A Topical Collection from Theoretical Chemistry Accounts

Editors: Champagne, B., Deleuze, M.S., De Proft, F., Leyssens, T. (Eds.)

  • Selected contributions from the journal Theoretical Chemistry Accounts
  • Now available in hardcover
  • Written by experts
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eBook $99.00
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  • ISBN 978-3-642-41315-5
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Hardcover $129.00
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  • ISBN 978-3-642-41314-8
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $129.00
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  • ISBN 978-3-662-51439-9
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
About this book

Readers of this volume can take a tour around the research locations in Belgium which are active in theoretical and computational chemistry. Selected researchers from Belgium present research highlights of their work. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry.

About the authors

"Benoît Champagne1  , Michael S. Deleuze2  , Frank De Proft3   and Tom Leyssens4  (1)Laboratory of Theoretical Chemistry, Unit of Physical Chemistry, Chemistry Department, University of Namur, Rue de Bruxelles, 61, 5000 Namur, Belgium
(2)Research Group of Theoretical Chemistry and Molecular Modeling, Hasselt University, Agoralaan Gebouw D, 3590 Diepenbeek, Belgium
(3)Faculteit Wetenschappen, Eenheid Algemene Chemie (ALGC), Vrije Universiteit Brussel (VUB), Pleinlaan 2, 1050 Brussels, Belgium
(4)Laboratory of Crystal Engineering, Institute of Condensed Matter and Nanosciences, Université Catholique de Louvain, Place Louis Pasteur 1, bte L4.01.03, 1348 Louvain-La-Neuve, Belgium 
Benoît Champagne (Corresponding author)
Email: benoit.champagne@unamur.be
Michael S. Deleuze
Email: michael.deleuze@uhasselt.be
Frank De Proft
Email: fdeproft@vub.ac.be
Tom Leyssens
Email: tom.leyssens@uclouvain.be"

Table of contents (23 chapters)

  • Preface

    Champagne, Benoît (et al.)

    Pages 1-13

  • Is there an exact potential energy surface?

    Sutcliffe, Brian

    Pages 15-25

  • Self-consistent methods constrained to a fixed number of particles in a given fragment and its relation to the electronegativity equalization method

    Cedillo, Andrés (et al.)

    Pages 27-33

  • Host–guest and guest–guest interactions between xylene isomers confined in the MIL-47(V) pore system

    Ghysels, An (et al.)

    Pages 35-47

  • Laser control in open quantum systems: preliminary analysis toward the Cope rearrangement control in methyl-cyclopentadienylcarboxylate dimer

    Dive, G. (et al.)

    Pages 49-59

Buy this book

eBook $99.00
price for USA (gross)
  • ISBN 978-3-642-41315-5
  • Digitally watermarked, DRM-free
  • Included format: PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $129.00
price for USA
  • ISBN 978-3-642-41314-8
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $129.00
price for USA
  • ISBN 978-3-662-51439-9
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Theoretical Chemistry in Belgium
Book Subtitle
A Topical Collection from Theoretical Chemistry Accounts
Editors
  • Benoit Champagne
  • Michael S. Deleuze
  • Frank De Proft
  • Tom Leyssens
Series Title
Highlights in Theoretical Chemistry
Series Volume
6
Copyright
2014
Publisher
Springer-Verlag Berlin Heidelberg
Copyright Holder
Springer-Verlag Berlin Heidelberg
eBook ISBN
978-3-642-41315-5
DOI
10.1007/978-3-642-41315-5
Hardcover ISBN
978-3-642-41314-8
Softcover ISBN
978-3-662-51439-9
Series ISSN
2194-8666
Edition Number
1
Number of Pages
VI, 288
Number of Illustrations and Tables
60 b/w illustrations, 98 illustrations in colour
Topics