24. Type of contribution: Invited Lecture
Author: E. Jimenez Izal
Congress: XI Reunión mexicana de fisicoquímica teórica
Title: Diseño de sólidos nanoporosos basados en nanoclusters CdS dopados endohédricamente
Place: Toluca de Lerdo (México)
Date: Nov 8-10, 2012
23. Type of contribution: Invited Lecture
Author: J. M. Azpiroz
Congress: XI Reunión mexicana de fisicoquímica teórica
Title: Estudio ab initio de Nanoestructuras Semiconductoras II-VI
Place: Toluca de Lerdo (Mexico)
Date: Nov 8-10, 2012
22. Type of contribution: Invited Lecture
Author: M. Piris
Congress: 7th International Meeting on Photodynamics
Title: Recent Developments in the Density Matrix Functional Theory
Place: Sao Paulo (Brazil)
Date: October 14-20, 2012
21. Type of contribution: Invited Lecture
Author: A. Heidenreich
Congress: The 240 Conference
Title: Laser energy deposition in nanodroplets and nuclear fusion driven by Coulomb explosion
Place: Chicago (USA)
Date: September 13, 2012
20. Type of contribution: Oral Presentation
Author: S. J. Grabowski
Congress: ICPOC21: 21st IUPAC International Conference on Physical Organic Chemistry
Title: The Hydrogen and Halogen Bond Interactions in Terms of Bent ́s Rule
Place: Durham (United Kingdom)
Date: September 9-13, 2012
19. Type of contribution: Invited Lecture
Author: E. Jimenez-Izal
Congress: Modelling realistic inorganic nanostructures: bridging the gap between theory and experiment
Title: Designed porous solids based on endohedrally doped CdS nanoclusters
Place: Zaragoza
Date: September 5-7, 2012
18. Type of contribution: Poster
Author: J. M. Azpiroz
Congress: Modelling realistic inorganic nanostructures: bridging the gap between theory and experiment
Title: First Principles Study on II-VI Semiconductor Nanostructures
Place: Zaragoza
Date: September 5-7, 2012
17. Type of contribution: Invited Lecture
Author: J. M. Ugalde
Congress: Theory and Applications of Computational Chemistry, TACC-2012
Title: Density Matrix Functional Theory of the Molecular Electronic Structure
Place: Pavia (Italy)
Date: September 2-7, 2012
16. Type of contribution: Invited Lecture
Author: M. Piris, J.M. Matxain, X. Lopez, F. Ruipérez, J. Uranga, G. Merino, J. M. Mercero, E. Matito, J. M. Ugalde
Congress: Workshop on ab initio Valence Bond Theory
Title: The Molecular Orbitals in Natural Orbital Functional Theory
Place: Paris (France)
Date: July 16-20, 2012
15. Type of contribution: Invited Lecture
Author: J. M. Ugalde
Congress: Girona Seminars
Title: Recent Advances in the Biochemistry of Aluminium (III)
Place: Girona
Date: July 2-5, 2012
14. Type of contribution: Poster
Author: I. Infante, S. Yao, J. M. Ugalde, J. F. Berry
Congress: Electronic Structure: principles and applications (ESPA2012)
Title: Can half-sigma bond exist in organometallic bridging complexes?
Place: Barcelona
Date: June 26-29, 2012
13. Type of contribution: Oral Presentation
Author: A. Heidenreich
Congress: Electronic Structure: principles and applications (ESPA2012)
Title: Coulomb explosion dynamics and energetics of multiply ionized clusters
Place: Barcelona
Date: June 26-29, 2012
12. Type of contribution: Oral Presentation
Author: S. J. Grabowski
Congress: Electronic Structure: principles and applications (ESPA2012)
Title: The Description of Non-Covalent Interactions in Terms of Bent ́s Rule
Place: Barcelona
Date: June 26-29, 2012
11. Type of contribution: Poster
Author: X. Lopez, J. I. Mujika, F. Ruipérez, I. Infante, J. M. Ugalde and C. Exley
Congress: Electronic Structure: Principles and Applications 2012 (ESPA 2012)
Title: Pro-Oxidant Activity of Aluminum through Al-Superoxide Formation
Place: Barcelona
Date: June 26-29, 2012
10. Type of contribution: Poster
Author: J. M. Matxain, J. I. Mujika, X. Lopez
Congress: Electronic Structure: Principles and Applications 2012 (ESPA 2012)
Title: Study of the attack of OH and NO radicals to the protein backbone
Place: Barcelona
Date: June 26-29, 2012
9. Type of contribution: Poster
Author: J. I. Mujika
Congress: Electronic Structure: principles and applications (ESPA2012)
Title: Molecular Dynamics Simulations of Iron and Aluminum Load Serum Transferrin
Place: Barcelona
Date: June 26-29, 2012
8. Type of contribution: Poster
Author: E. Jimenez-Izal
Congress: Electronic Structure: principles and applications (ESPA2012)
Title: Designed Porous Solids Based on Endohedrally Doped CdS Nanoclusters
Place: Barcelona
Date: June 26-29, 2012
7. Type of contribution: Poster
Author: F. Ruipérez
Congress: Electronic Structure: principles and applications (ESPA2012)
Title: Chemical bonding in transtion metals and actinides: Cr2, CrMo, CrU and MoU dimers. Wavefunction-based and Natural Orbital Functional (PNOF5) calculations
Place: Barcelona
Date: June 26-29, 2012
6. Type of contribution: Poster
Author: J. M. Azpiroz
Congress: Electronic Structure: principles and applications (ESPA2012)
Title: First Principles Study on ZnX (X = O, S, Se, Te) Nanostructures
Place: Barcelona
Date: June 26-29, 2012
5. Type of contribution: Invited Lecture
Author: M. Piris, J.M. Matxain, X. Lopez, F. Ruipérez, J. Uranga, G. Merino, J. M. Mercero, E. Matito, J. M. Ugalde
Congress: Theoretical Chemistry in Rio
Title: The Molecular Orbitals in Density Matrix Functional Theory
Place: Rio de Janeiro (Brazil)
Date: June 11-12, 2012
4. Type of contribution: Invited Lecture
Author: I. Infante
Congress: Electronic Structure Theory for Strongly Correlated Systems Conference
Title: Can half-sigma bond exist in organometal lic bridging complexes?
Place: Palermo (Italy)
Date: May 30 – June 1, 2012
3. Type of contribution: Invited Lecture
Author: M. Piris, J.M. Matxain, F. Ruipérez, X. Lopez, E. Matito, J. M. Ugalde
Congress: Kathmandu Workshop on Theoretical Chemistry
Title: Can NOFT bridge the gap between DFT and WFT?
Place: Kathmandu (Nepal)
Date: April 30 – May 4, 2012
2. Type of contribution: Invited Lecture
Author: M. Piris, J.M. Matxain, F. Ruipérez, X. Lopez, J. M. Ugalde
Congress: Symposium Challenges in Density Matrix and Density Functional Theory
Title: Density Matrix Functional Theory of the Molecular Electronic Structure
Place: Gent (Belgium)
Date: April 1-6, 2012
1. Type of contribution: Invited Lecture
Author: M. Piris, J.M. Matxain, F. Ruipérez, X. Lopez, J. M. Ugalde
Congress: The 52nd Sanibel Symposium
Title: NOF theory approach to strong electron correlation in chemistry
Place: St. Simons Island, Georgia (USA)
Date: February 19-24, 2012
