Browsing Recerca by Subject "Quantum chemistry -- Congresses"

Browsing Recerca by Subject "Quantum chemistry -- Congresses"

Now showing items 1-24 of 51

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

Now showing items 1-24 of 51