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IX Girona Seminar
Browsing IX Girona Seminar by Title
Browsing IX Girona Seminar by Title
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Computational modeling of hole transfer in DNA-protein complexes
2010-07-06
Class
Butchosa, Cristina
Computationally efficient and accurate dispersion correction for density functional theory
2010-07-06
Class
Grimme, Stefan
Conceptual density functional theory: the linear response function and third order derivatives
2010-07-06
Class
Geerlings, Paul
Confining electrons with Hooke and Yukawa like potentials
2010-07-06
Class
Ugalde, Jesus M.
Density extrapolation in conformational domains using a reference density matrix and explicit overlap matrix dependence
2010-07-06
Class
Mezey, Paul
Density functional theory for strongly interacting electrons
2010-07-06
Class
Gori-Giorgi, Paola
The Density functional triple jump
2010-07-05
Class
Gilbert, Andrew
Derivative discontinuity, band gap and LUMO orbital in density functional theory
2010-07-08
Class
Yang, Weitao
Describing dissociation in variational second order density matrix theory
2010-07-08
Class
Van Aggelen, Helen
The Dual descriptor: physical bases and application to ground and low excited states
2010-07-05
Class
Morell, Christophe
Electronic excited states of F-elements in solids
2010-07-07
Class
Seijo, Luis
Energy and entropy decomposition using the electron density
2010-07-05
Class
Ayers, Paul
Explicitly correlated F12 methods using CUSP conditions
2010-07-08
Class
Ten-no, Seiichiro
A Fractional view of the exchange-correlation functional in density-functional theory
2010-07-07
Class
Mori-Sánchez, Paula
Ground and excited state aromaticity and antiaromaticity: magnetic criteria and the valence-bond picture
2010-07-06
Class
Karadakov, Peter
A Hierarchical set of one electron functions in real space
2010-07-05
Class
Martín-Pendás, Angel
How do proteins regulate the driving force of excitation transfer in a photosynthetic marine algae?
2010-07-05
Class
Curutchet, Carles
Hydrogen motion in proton sponges
2010-07-06
Class
Horbatenko, Yevhen
Now showing items 10-27 of 51
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