9th Congress on Electronic Structure: Principles and Applications (ESPA 2014)

A Conference Selection from Theoretical Chemistry Accounts

  • Manuel F. Ruiz-Lopez
  • Francisco J. Olivares del Valle

Table of contents

  1. Front Matter
    Pages i-vi
  2. Manuel F. Ruiz-López, Francisco J. Olivares del Valle
    Pages 1-2
  3. David Semrouni, Christopher J. Cramer, Laura Gagliardi
    Pages 3-13
  4. Daniel Reta Mañeru, Ibério de P. R. Moreira, Francesc Illas
    Pages 15-24
  5. Rana Obaid, Daniel Kinzel, Markus Oppel, Leticia González
    Pages 25-31
  6. Muammar El Khatib, Oriana Brea, Edoardo Fertitta, Gian Luigi Bendazzoli, Stefano Evangelisti, Thierry Leininger et al.
    Pages 33-40
  7. E. V. Orlenko, T. Latychevskaia, A. V. Evstafev, F. E. Orlenko
    Pages 41-56
  8. Josep M. Oliva, Diego R. Alcoba, Ofelia B. Oña, Alicia Torre, Luis Lain, Josef Michl
    Pages 69-76
  9. F. Izquierdo-Ruiz, J. M. Menéndez, J. M. Recio
    Pages 77-84
  10. Sai Vikrama Chaitanya Vummaleti, Luigi Cavallo, Albert Poater
    Pages 93-98
  11. Nicolás Ramos-Berdullas, Diego López-Carballeira, Marcos Mandado, Ignacio Pérez-Juste
    Pages 113-125
  12. José L. C. Fajín, Filipe Teixeira, José R. B. Gomes, M. Natália D. S. Cordeiro
    Pages 127-139
  13. Quan Manh Phung, Zoila Barandiarán, Luis Seijo
    Pages 141-149
  14. A. Morales-García, M. Marqués, J. M. Menéndez, R. Franco, V. G. Baonza, J. M. Recio
    Pages 151-158
  15. Luis Miguel Azofra, Ibon Alkorta, Steve Scheiner
    Pages 159-166
  16. Yudai Ogata, Yukio Kawashima, Kaito Takahashi, Masanori Tachikawa
    Pages 167-172
  17. María del Carmen Ramírez Avi, Ana África Márquez García, Francisco Partal Ureña
    Pages 181-190
  18. Christian Solís-Calero, Joaquín Ortega-Castro, Juan Frau, Francisco Muñoz
    Pages 191-204
  19. Sara Watanabe, Yudai Ogata, Tsutomu Kawatsu, Yukio Kawashima, Masanori Tachikawa
    Pages 205-216
  20. Hugo Gattuso, Xavier Assfeld, Antonio Monari
    Pages 225-232

About this book


This volume collects research findings presented at the 9th Edition of the Electronic Structure: Principles and Applications (ESPA-2014) International Conference, held in Badajoz, Spain, on July 2–4, 2014. The contributions cover research work on theory, methods and foundations, materials science, structure and chemical reactivity as well as environmental effects and modelling. 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.


pressure-induced polymorphs molecular dynamic magnetizability AMOEBA Force Field Parameterization Exchange Perturbation Theory Self-Assembled Monolayers

Editors and affiliations

  • Manuel F. Ruiz-Lopez
    • 1
  • Francisco J. Olivares del Valle
    • 2
  1. 1.Campus Vandoeuvre-lès-NancyUniversité de LorraineNancyFrance
  2. 2.Campus BadajozUniversidad de ExtremaduraBadajozSpain

Bibliographic information