Visualitzant IX Girona Seminar per matèria "Quantum chemistry -- Congresses"

Visualitzant IX Girona Seminar per matèria "Quantum chemistry -- Congresses"

Ara es mostren els resultats 25-48 de 51

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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.

Electronic excited states of F-elements in solids

2010-07-07 Classe

Seijo, Luis

Story of two CO2+ cations

2010-07-07 Classe

Roithova, Jana

Atomistic modeling of multimillion atom nanostructures

2010-07-07 Classe

Zielinski, Michal

A Fractional view of the exchange-correlation functional in density-functional theory

2010-07-07 Classe

Mori-Sánchez, Paula

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

2010-07-07 Classe

Piris, Mario

Anharmonicity as a possible explenation of the Eigen-Zundel dilema in the IR spectrum of H+(H2O)21

2010-07-08 Classe

Torrent Sucarrat, Miquel

Describing dissociation in variational second order density matrix theory

2010-07-08 Classe

Van Aggelen, Helen

On variational principles in density and density matrix functional theories

2010-07-08 Classe

Levy, Mel

Spin component scaling in multiconfiguration perturbation theory

2010-07-08 Classe

Szabados, Agnes

Numerical integration along the adiabatic connection

2010-07-08 Classe

Savin, Andreas

Posmom: the unobserved observable

2010-07-08 Classe

Gill, Peter

Spin-coupled descriptions of organic reactivity

2010-07-08 Classe

Cooper, 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

Aromaticity and the electron localization function, ELF

2010-07-08 Classe

Fuentealba, Patricio

Ara es mostren els resultats 25-48 de 51

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