Browsing Facultat de Ciències by Title

Browsing Facultat de Ciències by Title

Now showing items 8-31 of 53

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Carbones, silylones, germylones, stannylones

2010-07-07 Class

Frenking, Gernot

Closing

2010-07-08 Class

Solà i Puig, Miquel

Community surveys through space and time : testing the space-time interaction in the absence of replication

2015-05-11 Class

Legendre, Pierre

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

The Influece of atoms-in-molecules methods on shared-electron distribution indices and domain averaged fermi holes

2010-07-05 Class

Bultinck, Patrick

Insights into the mechanism of the photoinduced Wolff rearrangement of diazonaphthquinone

2010-07-05 Class

Li, Quansong

Is water a source of energy? Water oxidation for hydrogen production

2010-07-07 Class

Poater, Albert

Now showing items 8-31 of 53

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