Visualitzant IX Girona Seminar per data de publicació

Visualitzant IX Girona Seminar per data de publicació

Ara es mostren els resultats 16-33 de 51

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Computational modeling of hole transfer in DNA-protein complexes

2010-07-06 Classe

Butchosa, Cristina

Benchmark full configuration interaction calculations for the ground state of three-electron harmonium atoms

2010-07-06 Classe

Matito i Gras, Eduard

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

2010-07-06 Classe

Karadakov, Peter

Density functional theory for strongly interacting electrons

2010-07-06 Classe

Gori-Giorgi, Paola

Hydrogen motion in proton sponges

2010-07-06 Classe

Horbatenko, Yevhen

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

2010-07-06 Classe

Mezey, Paul

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

2010-07-06 Classe

Geerlings, Paul

Recent advances in LC-DFT

2010-07-06 Classe

Kimihiko, Hirao

A Nonempirical density functional for covalent and noncovalent chemistry

2010-07-06 Classe

Becke, Axel

Carbones, silylones, germylones, stannylones

2010-07-07 Classe

Frenking, Gernot

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

2010-07-07 Classe

Filatov, Michael

Subsystem TDDFT for spectra and response properties of molecular aggregates

2010-07-07 Classe

Neugebauer, Johannes

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

2010-07-07 Classe

Poater, Albert

Secondary interactions organize hydrogen splitting by frustrated Lewis pairs

2010-07-07 Classe

Rokob, Tibor András

Applying quantum chemistry to solids and liquids

2010-07-07 Classe

Allan, Neil

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

2010-07-07 Classe

Bertran Rusca, Juan

TDDFT excited states: challenges & solutions

2010-07-07 Classe

Tozer, David

Static Correlation via Constrained-Pairing Mean-Field Theory

2010-07-07 Classe

Scuseria, Gustavo E.

Ara es mostren els resultats 16-33 de 51

anterior següent