Search Results - "Niskanen, Mika"
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3D THM modelling of Finnish spent nuclear fuel repository
Published in Frontiers in built environment (26-09-2024)“…This paper presents modelling of the long-term performance of engineered barrier systems (EBS) in crystalline host rock in terms of coupled…”
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Analysis of the Extension of the Elastic Parameters for Modelling Highly Expansive Unsaturated Soils with the Barcelona Basic Model
Published in Advances in materials science and engineering (2023)“…Modelling of engineered barrier systems (EBS) in deep geological disposals of spent nuclear fuel requires sophisticated approaches that include highly…”
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Metal−Metal Interactions in Stacked Mononuclear and Dinuclear Rhodium 2,2′-Biimidazole Carbonyl Complexes
Published in Crystal growth & design (04-08-2010)“…Noncovalent metal−metal interactions in the solid state were studied by investigating the stacking of the cationic mononuclear [Rh(H2bim)(CO)2]+ (H2bim =…”
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Development of a 2D model for rapid estimation of sulfide corrosion of copper canisters in a spent nuclear fuel repository
Published in Materials and corrosion (01-11-2023)“…Reactive‐transport models (RTMs) have been an integral part of the safety case and design optimization for the nuclear waste repository in Finland. Such highly…”
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Intrinsic Properties of Two Benzodithiophene-Based Donor–Acceptor Copolymers Used in Organic Solar Cells: A Quantum-Chemical Approach
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25-02-2016)“…Conjugated donor–acceptor (D–A) copolymers show tremendous promise as active components in thin-film organic bulk heterojunction solar cells and transistors,…”
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Computational DFT Study of Ruthenium Tetracarbonyl Polymer
Published in Journal of chemical theory and computation (14-04-2009)“…Ruthenium tetracarbonyl polymer, [Ru(CO)4] n , a chainlike compound formed by metal−metal interactions, was studied computationally. We first performed tests…”
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Molecular dynamics data for modelling the microstructural behaviour of compacted sodium bentonites
Published in Applied clay science (01-02-2021)“…The water retention curve deduced with low water content data allows the modelling of the bentonite void ratio associated with the pores located inside the…”
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Coupling of chemical and hydromechanical properties in bentonite: A new reactive transport model
Published in Applied clay science (15-11-2021)“…The reactive transport framework ORCHESTRA was used to implement a dual porosity reactive transport system that accounts for mechanical processes relevant for…”
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Monoisomeric Phthalocyanines and Phthalocyanine–Fullerene Dyads with Polar Side Chains: Synthesis, Modeling, and Photovoltage
Published in Journal of physical chemistry. C (06-02-2014)“…Synthesis, characterization, molecular modeling, and photovoltage responses of four phthalocyanine–fullerene (Pc-C60) dyads with two polar (−OH) side chains…”
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Metal–metal interactions in linear tri-, penta-, hepta-, and nona-nuclear ruthenium string complexes
Published in Journal of molecular modeling (01-05-2012)“…Density functional theory (DFT) methodology was used to examine the structural properties of linear metal string complexes: [Ru 3 (dpa) 4 X 2 ] (X = Cl − , CN…”
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