0000000000175754
AUTHOR
Anna Kausamo
showing 7 related works from this author
Yleistetyn kontinuumihypoteesin ja Alef-hypoteesin yhtäpitävyys valinta-aksiooman kautta
2014
Anna Kausamo, Yleistetyn kontinuumihypoteesin ja Alef-hypoteesin yht äpit avyys valinta-aksiooman kautta (engl. The Equivalence of the Genereralized Continuum Hypothesis and the Alef-hypothesis through the Axiom of Choice), matematiikan sivuainetutkielma, 91. s., Jyv äskyl än yliopisto, Matematiikan ja tilastotieteen laitos, syksy 2014. T ässä tutkielmassa todistetaan, että yleistetty kontinuumihypoteesi ja Alef- hypoteesi ovat yht äpit avi ä joukko-opin Zermelon ja Fraenkelin mukaisessa aksiomatisoinnissa. P äättely esitet ään Rubinin ja Sierpinskin lauseiden todistusten kautta. N äist ä ensimm äisen mukaan valinta-aksiooma seuraa Alef- hypoteesista, ja j älkimm äisen perusteella yleistett…
N-Heterocyclic Carbenes with Inorganic Backbones: Electronic Structures and Ligand Properties
2008
The electronic structures of known N-heterocyclic carbenes (NHCs) with boron, nitrogen, and phosphorus backbones are examined using quantum chemical methods and compared to the experimental results and to the computational data obtained for a classical carbon analogue, imidazol-2-ylidene. The σ-donor and π-acceptor abilities of the studied NHCs in selected transition-metal complexes are evaluated using a variety of approaches such as energy and charge decomposition analysis, as well as calculated acidity constants and carbonyl stretching frequencies. The study shows that the introduction of selected heteroatoms into the NHC backbone generally leads to stronger metal−carbene bonds and theref…
N-Heterocyclic Carbenes with Inorganic Backbones: Electronic Structures and Ligand Properties
2008
The electronic structures of known N-heterocyclic carbenes (NHCs) with boron, nitrogen, and phosphorus backbones are examined using quantum chemical methods and compared to the experimental results and to the computational data obtained for a classical carbon analogue, imidazol-2-ylidene. The sigma-donor and pi-acceptor abilities of the studied NHCs in selected transition-metal complexes are evaluated using a variety of approaches such as energy and charge decomposition analysis, as well as calculated acidity constants and carbonyl stretching frequencies. The study shows that the introduction of selected heteroatoms into the NHC backbone generally leads to stronger metal-carbene bonds and t…
Mechanism of Trichloroethene Hydrodehalogenation: A First-Principles Kinetic Monte Carlo Study
2014
A hydrodehalogenation (HDC) reaction of trichloroethene (TCE) has gained a lot of interest due to its possible application in water purification, but the reaction mechanism has been subject to much controversy. In this work, HDC of TCE on Pd(111) was examined by carrying out kinetic Monte Carlo simulations based on DFT-calculated thermodynamic and kinetic parameters. Obtained kMC results show that the HDC follows a so-called direct pathway, which means that, after adsorption on a catalyst, TCE quickly dechlorinates, producing CH–C and then, more slowly, hydrogenates to form hydrocarbon products. This is reflected in the surface coverage snapshots, where intermediates corresponding to the di…
Multi-marginal entropy-transport with repulsive cost
2020
In this paper we study theoretical properties of the entropy-transport functional with repulsive cost functions. We provide sufficient conditions for the existence of a minimizer in a class of metric spaces and prove the $\Gamma$-convergence of the entropy-transport functional to a multi-marginal optimal transport problem with a repulsive cost. We also prove the entropy-regularized version of the Kantorovich duality.
Duality theory for multi-marginal optimal transport with repulsive costs in metric spaces
2018
In this paper we extend the duality theory of the multi-marginal optimal transport problem for cost functions depending on a decreasing function of the distance (not necessarily bounded). This class of cost functions appears in the context of SCE Density Functional Theory introduced in "Strong-interaction limit of density-functional theory" by M. Seidl.
On deterministic solutions for multi-marginal optimal transport with Coulomb cost
2022
In this paper we study the three-marginal optimal mass transportation problem for the Coulomb cost on the plane $\R^2$. The key question is the optimality of the so-called Seidl map, first disproved by Colombo and Stra. We generalize the partial positive result obtained by Colombo and Stra and give a necessary and sufficient condition for the radial Coulomb cost to coincide with a much simpler cost that corresponds to the situation where all three particles are aligned. Moreover, we produce an infinite class of regular counterexamples to the optimality of this family of maps.