Browsing Facultat de Ciències by Title

Browsing Facultat de Ciències by Title

Now showing items 19-36 of 53

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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

Local spin

2010-07-05 Class

Mayer, Istvan

New advances in NOF theory: paving the way towards chemical accuracy

2010-07-07 Class

Piris, Mario

A Nonempirical density functional for covalent and noncovalent chemistry

2010-07-06 Class

Becke, Axel

Numerical integration along the adiabatic connection

2010-07-08 Class

Savin, Andreas

Obtaining stable solutions of optimized offective potential method in basis set representation

2010-07-07 Class

Filatov, Michael

Now showing items 19-36 of 53

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