Browsing Facultat de Ciències by Issue Date

Browsing Facultat de Ciències by Issue Date

Now showing items 25-48 of 53

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A Nonempirical density functional for covalent and noncovalent chemistry

2010-07-06 Class

Becke, Axel

Carbones, silylones, germylones, stannylones

2010-07-07 Class

Frenking, Gernot

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

2010-07-07 Class

Filatov, Michael

Subsystem TDDFT for spectra and response properties of molecular aggregates

2010-07-07 Class

Neugebauer, Johannes

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

2010-07-07 Class

Poater, Albert

Secondary interactions organize hydrogen splitting by frustrated Lewis pairs

2010-07-07 Class

Rokob, Tibor András

Applying quantum chemistry to solids and liquids

2010-07-07 Class

Allan, Neil

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

2010-07-07 Class

Bertran Rusca, Juan

TDDFT excited states: challenges & solutions

2010-07-07 Class

Tozer, David

Static Correlation via Constrained-Pairing Mean-Field Theory

2010-07-07 Class

Scuseria, Gustavo E.

Electronic excited states of F-elements in solids

2010-07-07 Class

Seijo, Luis

Story of two CO2+ cations

2010-07-07 Class

Roithova, Jana

Atomistic modeling of multimillion atom nanostructures

2010-07-07 Class

Zielinski, Michal

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

2010-07-07 Class

Mori-Sánchez, Paula

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

2010-07-07 Class

Piris, Mario

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

2010-07-08 Class

Torrent Sucarrat, Miquel

Describing dissociation in variational second order density matrix theory

2010-07-08 Class

Van Aggelen, Helen

On variational principles in density and density matrix functional theories

2010-07-08 Class

Levy, Mel

Spin component scaling in multiconfiguration perturbation theory

2010-07-08 Class

Szabados, Agnes

Numerical integration along the adiabatic connection

2010-07-08 Class

Savin, Andreas

Posmom: the unobserved observable

2010-07-08 Class

Gill, Peter

Spin-coupled descriptions of organic reactivity

2010-07-08 Class

Cooper, David

Unexpected features of relativistic models

2010-07-08 Class

Karwowski, Jacek

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

2010-07-08 Class

Kutzelnigg, Werner

Now showing items 25-48 of 53

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