Listar IX Girona Seminar por título

Listar IX Girona Seminar por título

Mostrando ítems 10-27 de 51

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Computational modeling of hole transfer in DNA-protein complexes

2010-07-06 Clase

Butchosa, Cristina

Computationally efficient and accurate dispersion correction for density functional theory

2010-07-06 Clase

Grimme, Stefan

Conceptual density functional theory: the linear response function and third order derivatives

2010-07-06 Clase

Geerlings, Paul

Confining electrons with Hooke and Yukawa like potentials

2010-07-06 Clase

Ugalde, Jesus M.

Density extrapolation in conformational domains using a reference density matrix and explicit overlap matrix dependence

2010-07-06 Clase

Mezey, Paul

Density functional theory for strongly interacting electrons

2010-07-06 Clase

Gori-Giorgi, Paola

The Density functional triple jump

2010-07-05 Clase

Gilbert, Andrew

Derivative discontinuity, band gap and LUMO orbital in density functional theory

2010-07-08 Clase

Yang, Weitao

Describing dissociation in variational second order density matrix theory

2010-07-08 Clase

Van Aggelen, Helen

The Dual descriptor: physical bases and application to ground and low excited states

2010-07-05 Clase

Morell, Christophe

Electronic excited states of F-elements in solids

2010-07-07 Clase

Seijo, Luis

Energy and entropy decomposition using the electron density

2010-07-05 Clase

Ayers, Paul

Explicitly correlated F12 methods using CUSP conditions

2010-07-08 Clase

Ten-no, Seiichiro

A Fractional view of the exchange-correlation functional in density-functional theory

2010-07-07 Clase

Mori-Sánchez, Paula

Ground and excited state aromaticity and antiaromaticity: magnetic criteria and the valence-bond picture

2010-07-06 Clase

Karadakov, Peter

A Hierarchical set of one electron functions in real space

2010-07-05 Clase

Martín-Pendás, Angel

How do proteins regulate the driving force of excitation transfer in a photosynthetic marine algae?

2010-07-05 Clase

Curutchet, Carles

Hydrogen motion in proton sponges

2010-07-06 Clase

Horbatenko, Yevhen

Mostrando ítems 10-27 de 51

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