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Highlights in Theoretical Chemistry

8th Congress on Electronic Structure: Principles and Applications (ESPA 2012)

A Conference Selection from Theoretical Chemistry Accounts

Editors: Novoa, Juan J., Ruiz López, Manuel F. (Eds.)

  • Selected contributions from the journal Theoretical Chemistry Accounts
  • Now available in hardcover
  • Written by experts
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eBook $99.00
price for Mexico (gross)
  • ISBN 978-3-642-41272-1
  • 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 Mexico
valid through 16 de octubre de 2017
  • ISBN 978-3-642-41271-4
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $129.00
price for Mexico
  • ISBN 978-3-662-52506-7
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
About this book

This volume collects research findings presented at the 8th Edition of the Electronic Structure: Principles and Applications (ESPA-2012) International Conference, held in Barcelona, Spain on June 26-29, 2012. The contributions cover research work on methods and fundamentals of theoretical chemistry, chemical reactivity, bimolecular modeling, and materials science. Originally published in the journal Theoretical Chemistry Accounts, these outstanding papers are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry, and will especially benefit those research groups and libraries with limited access to the journal.

About the authors

Juan J. Novoa1 and Manuel F. Ruiz-Lopez2 (1)Departament de Química Física & IQTCUB, Facultat de Química, Universitat de Barcelona, Av. Diagonal 645, Barcelona, 08028, Spain
(2)SRSMC, Theoretical Chemistry and Biochemistry Group, University of Lorraine, CNRS, 54506 Vandoeuvre-les-Nancy, France

Juan J. Novoa (Corresponding author)
Email: juan.novoa@ub.edu
Manuel F. Ruiz-Lopez (Corresponding author)
Email: Manuel.Ruiz@univ-lorraine.fr

Table of contents (25 chapters)

  • Preface to the ESPA-2012 special issue

    Novoa, Juan J. (et al.)

    Pages 1-4

  • The one-electron picture in the Piris natural orbital functional 5 (PNOF5)

    Piris, Mario (et al.)

    Pages 5-15

  • MS-CASPT2 study of the low-lying electronic excited states of di-thiosubstituted formic acid dimers

    Verzeni, R. (et al.)

    Pages 17-26

  • Electronic structure studies of diradicals derived from Closo-Carboranes

    Oliva, Josep M. (et al.)

    Pages 27-32

  • A theoretical investigation of the CO2-philicity of amides and carbamides

    Azofra, Luis Miguel (et al.)

    Pages 33-41

Buy this book

eBook $99.00
price for Mexico (gross)
  • ISBN 978-3-642-41272-1
  • 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 Mexico
valid through 16 de octubre de 2017
  • ISBN 978-3-642-41271-4
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $129.00
price for Mexico
  • ISBN 978-3-662-52506-7
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
8th Congress on Electronic Structure: Principles and Applications (ESPA 2012)
Book Subtitle
A Conference Selection from Theoretical Chemistry Accounts
Editors
  • Juan J. Novoa
  • Manuel F. Ruiz López
Series Title
Highlights in Theoretical Chemistry
Series Volume
5
Copyright
2014
Publisher
Springer-Verlag Berlin Heidelberg
Copyright Holder
Springer-Verlag Berlin Heidelberg
eBook ISBN
978-3-642-41272-1
DOI
10.1007/978-3-642-41272-1
Hardcover ISBN
978-3-642-41271-4
Softcover ISBN
978-3-662-52506-7
Series ISSN
2194-8666
Edition Number
1
Number of Pages
VI, 230
Number of Illustrations and Tables
117 b/w illustrations, 20 illustrations in colour
Topics