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Facultat de Cièn...
IX Girona Seminar
Browsing IX Girona Seminar by Issue Date
Browsing IX Girona Seminar by Issue Date
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A Hierarchical set of one electron functions in real space
2010-07-05
Class
Martín-Pendás, Angel
Local spin
2010-07-05
Class
Mayer, Istvan
A Study on atomic populations
2010-07-05
Class
Carbó-Dorca, Ramon
Insights into the mechanism of the photoinduced Wolff rearrangement of diazonaphthquinone
2010-07-05
Class
Li, Quansong
The Dual descriptor: physical bases and application to ground and low excited states
2010-07-05
Class
Morell, Christophe
(Revised) SSB-D: A new functional for biological applications
2010-07-05
Class
Swart, Marcel
Energy and entropy decomposition using the electron density
2010-07-05
Class
Ayers, Paul
The Influece of atoms-in-molecules methods on shared-electron distribution indices and domain averaged fermi holes
2010-07-05
Class
Bultinck, Patrick
The Density functional triple jump
2010-07-05
Class
Gilbert, Andrew
How do proteins regulate the driving force of excitation transfer in a photosynthetic marine algae?
2010-07-05
Class
Curutchet, Carles
Anatomy of Bond Formation. Insights from the Analysis of Domain-Averaged Fermi Holes in Momentum Space
2010-07-05
Class
Ponec, Robert
Opening
2010-07-05
Class
Blancafort San José, Lluís
Calbó Angrill, Josep
Benchmark full configuration interaction calculations on harmonium atoms
2010-07-06
Class
Cioslowski, Jerzy
Confining electrons with Hooke and Yukawa like potentials
2010-07-06
Class
Ugalde, Jesus M.
Computationally efficient and accurate dispersion correction for density functional theory
2010-07-06
Class
Grimme, Stefan
Computational modeling of hole transfer in DNA-protein complexes
2010-07-06
Class
Butchosa, Cristina
Benchmark full configuration interaction calculations for the ground state of three-electron harmonium atoms
2010-07-06
Class
Matito i Gras, Eduard
Ground and excited state aromaticity and antiaromaticity: magnetic criteria and the valence-bond picture
2010-07-06
Class
Karadakov, Peter
Density functional theory for strongly interacting electrons
2010-07-06
Class
Gori-Giorgi, Paola
Hydrogen motion in proton sponges
2010-07-06
Class
Horbatenko, Yevhen
Density extrapolation in conformational domains using a reference density matrix and explicit overlap matrix dependence
2010-07-06
Class
Mezey, Paul
Conceptual density functional theory: the linear response function and third order derivatives
2010-07-06
Class
Geerlings, Paul
Recent advances in LC-DFT
2010-07-06
Class
Kimihiko, Hirao
A Nonempirical density functional for covalent and noncovalent chemistry
2010-07-06
Class
Becke, Axel
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