Visualitzant IX Girona Seminar per títol

Visualitzant IX Girona Seminar per títol

Ara es mostren els resultats 28-51 de 51

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

2010-07-05 Classe

Bultinck, Patrick

Insights into the mechanism of the photoinduced Wolff rearrangement of diazonaphthquinone

2010-07-05 Classe

Li, Quansong

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

2010-07-07 Classe

Poater, Albert

Local spin

2010-07-05 Classe

Mayer, Istvan

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

2010-07-07 Classe

Piris, Mario

A Nonempirical density functional for covalent and noncovalent chemistry

2010-07-06 Classe

Becke, Axel

Numerical integration along the adiabatic connection

2010-07-08 Classe

Savin, Andreas

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

2010-07-07 Classe

Filatov, Michael

On variational principles in density and density matrix functional theories

2010-07-08 Classe

Levy, Mel

Opening

2010-07-05 Classe

Blancafort San José, Lluís Calbó Angrill, Josep

Posmom: the unobserved observable

2010-07-08 Classe

Gill, Peter

Recent advances in LC-DFT

2010-07-06 Classe

Kimihiko, Hirao

Relationship between stacking and hydrogen bonding in watson-crick base pairs

2010-07-07 Classe

Bertran Rusca, Juan

(Revised) SSB-D: A new functional for biological applications

2010-07-05 Classe

Swart, Marcel

Secondary interactions organize hydrogen splitting by frustrated Lewis pairs

2010-07-07 Classe

Rokob, Tibor András

Spin component scaling in multiconfiguration perturbation theory

2010-07-08 Classe

Szabados, Agnes

Spin-coupled descriptions of organic reactivity

2010-07-08 Classe

Cooper, David

Static Correlation via Constrained-Pairing Mean-Field Theory

2010-07-07 Classe

Scuseria, Gustavo E.

Story of two CO2+ cations

2010-07-07 Classe

Roithova, Jana

A Study on atomic populations

2010-07-05 Classe

Carbó-Dorca, Ramon

Subsystem TDDFT for spectra and response properties of molecular aggregates

2010-07-07 Classe

Neugebauer, Johannes

TDDFT excited states: challenges & solutions

2010-07-07 Classe

Tozer, David

Unexpected features of relativistic models

2010-07-08 Classe

Karwowski, Jacek

What ab-initio Quantum Chemistry (AIQC) and Density Functional Theory (DFT) can learn from each other

2010-07-08 Classe

Kutzelnigg, Werner

Ara es mostren els resultats 28-51 de 51