793 search results for “density functional circulations” in the Public website
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Development of highly accurate density functionals for H2 dissociation on transition metals
Metals surfaces form a group of effective catalysts for the reaction of small molecules such as hydrogen (H2).
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Strings and AdS/CFT at finite density
Promotor: Prof.dr. J. Zaanen, A. Parnachev
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Travelling Islam: The Circulation of Ideas in Islamic Africa
This programme starts from the idea that cultural discourse is one of the main engines of intellectual history and the history of ideas.
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Nuclear Quantum Effects in Solid Water
Ice, the solid state of water, plays an important role on our planet as well as the entire universe.Despite the fact that an individual water molecule has a very simple structure, its chemical bonding in the solid phase can be surprisingly complex.
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Jörg MeyerFaculty of Science
j.meyer@chem.leidenuniv.nl | +31 71 527 5569
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Destroy, Create, Transform and Sublimate. Laboratory Dissociation Studies on Polycyclic Aromatic Hydrocarbons and Analogues
The aromatic infrared bands (AIBs) seen throughout the interstellar medium (ISM) are generally thought to be carried by polycyclic aromatic hydrocarbons (PAHs) and their nitrogen analogues (PANHs).
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Functional projections in analytic languages
The ultimate aim of the project is to find out whether there are such things as
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Circulating cells as biomarkers in cardiovascular disease : the difference between men and women
Promotor: J. Kuiper
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Francesco BudaFaculty of Science
f.buda@lic.leidenuniv.nl | +31 71 527 5723
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Proton transport through non-covalently functionalized graphene
Single-layer graphene (SLG) has attracted considerable interest as a proton exchange membrane for direct methanol fuel cells (DMFCs), owing to its atomic thickness, mechanical robustness, and unique proton permeability.
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Interstellar Catalysts and the PAH universe
Organic molecules in interstellar space are important as they influence the structure of galaxies and star formations. Studying catalytic processes in space allows us to understand how molecular species are formed and chemically evolved in the interstellar medium and solar system objects.
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Highly Accurate Simulations and Benchmarking of Molecule-Surface Reactions
Heterogeneous catalyzed processes are highly significant to the chemical industry. Dissociative chemisorption (DC) of molecules on surfaces is always considered as a step with a high degree of rate control for heterogeneous catalysis.
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Annetrude BoeijeFaculty of Science
a.g.boeije@cml.leidenuniv.nl | +31 71 527 2727
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Attacks on hash functions and applications
Promotores: R. Cramer, A.K. Lenstra, Co-Promotor: B.M.M. de Weger
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Global Exchanges. Scholarships and Transnational Circulations in the Modern World
Exchanges between different cultures and institutions of learning have taken place for centuries, but it was only in the twentieth century that such efforts evolved into formal programs that received focused attention from nation-states, empires and international organizations.
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Circulating non-coding RNAs in kidney disease
PhD defence
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Chemical functionalization of the graphene surface for electrical and electrochemical sensing application
Advanced sensing techniques require graphene with high quality and well-controlled surface chemistry.
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Global Fields and Their L-functions
Artin L-functions associated to continuous representations of the absolute Galois group G_K of a global field K capture a lot of information about G_K as well as arithmetic properties of K.
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Computational electrocatalysis
This dissertation focused on computational methods based on first principles calculations using the Density Functional Theory (DFT) framework. Emphasis was laid on affordable methods that can provide a tradeoff between computational expense and accuracy.
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Satellite remote sensing of plant functional diversity
Biodiversity enables ecosystems to thrive through the synergy of functional differences among organisms. While human well-being strongly depends on biodiversity-driven ecosystem services, human actions are also at the root of current unprecedented biodiversity declines.
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Profinite groups with a rational probabilistic zeta function
Promotores: H.W. Lenstra, A. Lucchini
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Surface Temperature and the Dynamics of H2 on Cu(111)
Heterogeneous catalysis is one of the fundamental processes of modern life, being common in industrial refinery and hydrogen vehicles, all the way to the living cell. The dissociation of H2 on Cu(111) is an important benchmark system for studying heterogeneous catalysis, with a large and varied amount…
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Topic: Movement and mental functions
Our ability to learn and control movements is essential for engaging in goal-directed behaviour. From buttoning your shirt and driving a car, to cooking dinner and brushing your teeth -- our actions in daily life rely on this ability.
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Light-activatable metallodrugs and metal-functionalized liposomes
Metal-containing molecules combine geometrical features and a reactivity that are inherently different from that of organic molecules. My research focuses on light-activatable metal-based anticancer drugs and metal-functionalized liposomes. Light is a very selective way to activate photosensitive drugs…
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Density functional theory is an accurate predictor for variation with geometry of barriers for reactions on metals
A semi-empirical version of the specific reaction parameter approach to density functional theory (SRP-DFT) has been remarkably successful at predicting dissociative chemisorption probability vs. incidence energy curves for reactions on metal surfaces. New quantum Monte Carlo (QMC) calculations on the…
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Translation invariant Banach function spaces on groups
When a physical system possesses symmetries, these are often accompanied by a representation of the symmetry group on a Hilbert space. Group representations on Hilbert spaces have been extensively studied.
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confronting hydrodynamic simulations with new observations of high-density environments
Galaxies in the Universe are distributed along the intricate framework of the Cosmic Web. Groups and clusters of galaxies comprise the densest regions in this network, and therefore, are excellent cosmic laboratories to study different aspects of galaxy evolution in extreme environments.
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Ecological functioning of bacterial chitinases in soil
Promotores: Prof.dr. H. van Veen & Prof.dr. W. de Boer (Wageningen University)
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Assemblage and functioning of bacterial communities in soil and rhizosphere
Promotores: J.A.van Veen, P.L.G.Klinkhamer. Co-promotor: E.E.Kuramae
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Hydrogen dissociation on metal surfaces
Promotor: G. J. Kroes
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Symmetric Diophantine approximation over function fields
Promotor: Prof.dr. P. Stevenhagen, Co-Promotor: Dr. J.H. Evertse
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Accurate modeling of the dynamics of dissociative chemisorption on metal surfaces
Fundamental understanding of molecular reactions on metal surfaces is important for improving heterogeneous catalysis.
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Discrete tomography for integer-valued functions
Promotor: S.J. Edixhoven, Co-promotor: K.J. Batenburg
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Physics implications of shape on biological function
Shape and biological function are tightly connected. Physical descriptions are used to connect the shape of a biological system with its function.
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Rationally designed peptide based functional biomaterials
Promoter: J.G.E.M.Fraaije, Co-promotor: A. Kros
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Stereoelectronic and conformational effects in oxocarbenium, iminium and iminosugar ammonium ions
Promotor: G.A. van der Marel, Co-promotor: J.D.C. Codée
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A functional approach to differential indexing
On 12 April 2022 Alok Oak successfully defended a doctoral thesis and graduated.
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Remote (sensing) functional biodiversity: exploring drivers of trait variation and spectral variability in the Arctic
Globally and regionally, biodiversity is declining and there are shifts in species’ occurrences and functional traits.
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General plant strategies and functions in wetlands: Global trait-based analyses
Wetland plants are distinguished from plants of other terrestrial ecosystems by their adaptations to specific habitat stresses, including waterlogged and flooding and the subsequent abundance of phytotoxic compounds.
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Functional fluorescent materials and migration dynamics of neural progenitor cells
In this thesis, time-lapse fluorescent microscopy plays a pivotal role in investigating functional materials within living cells as well as the migratory behaviour of neural progenitor cells.
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Our functional assays
This page is under construction.
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Dedicated functional assays
This page is under construction.
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Observing what cannot be observed: computational electrochemistry from carbon to hydrogen
In this thesis, we consider various (electro)chemical phenomena at surfaces and nanoparticles and their underlying atomistic processes, which we studied using first-principles methods such as density functional theory.
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Understanding the Surface Structure of Catalysts and 2D Materials at the Atomic Scale
The work in this thesis demonstrates how to obtain an atomic-scale picture of a diverse set of complex surface structures observed using STM, under disparate conditions.
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Understanding functional dynamics and conformational stability of beta-glycosidases
Due to their central physiological roles in living organisms, retaining beta-glycosidases have been the subject of tremendous research efforts to examine their structure/function relation using numerous biophysical and biochemical approaches.
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Ecological functions and environmental fate of exopolymers of Acidobacteria
Acidobacteria is a widely distributed phylum but their functional roles in ecosystem processes are still largely elusive.
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Catecholamine function, brain state dynamics, and human cognition
The work presented in this thesis addresses the role of the locus coeruleus (LC) - norepinephrine (NE) system in various aspects of human cognition, and the modulation of brain state.
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Managing Diversity: Supervising Functions in Managing Colonial Workplaces
Managing Diversity: Supervising Functions in Managing Colonial Workplaces
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City Gates in the Roman West: Forms and functions
This publication by Cornelis van Tilburg, will be published at Sidestone Press on September 28, 2022. It discusses various aspects of city gates in the Western Roman Empire: Italy, Spain, Gaul, Germany and Britain.
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Regulators of integrin α6β4 function
This thesis describes our search to identify and understand possible regulatory mechanisms of integrin α6β4 in cell-matrix adhesion and intracelular signaling.