852 zoekresultaten voor “ab initio molecular dynamics” in de Publieke website
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Ab initio molecular dynamics calculations on reactions of molecules with metal surfaces
Promotor: Prof.dr. G.J. Kroes
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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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Infrared spectroscopy of astrophysically relevant hydrocarbons
This thesis is about the study of hydrocarbons via infrared spectroscopy.
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Ab Helversteijn
ICT Shared Service Centre
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Ab Glasbergen
Universitair Facilitair Bedrijf
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Accelerating the Photocatalytic Water Splitting in Catalyst−Dye Complexes
As a virtually inexhaustible source, solar energy plays a major role in future global energy scenarios.
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Ab de Jong
Faculteit der Geesteswetenschappen
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Strategy Dynamics
In the thesis the dynamics of strategies is studied from two perspectives.In the first part of the thesis strategies are considered to be opinions present in a community.
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The relation between dynamics and activity of phospholipase A/acyltransferase homologs
Phospholipase A/acyltransferase 3 (PLAAT3) and PLAAT4 are enzymes involved in the synthesis of bioactive lipids. Despite sequential and structural similarities, the two enzymes differ in activity and specificity.
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Dynamic Testing and Cognitive Flexibility
Veel kinderen leren niet op een niveau dat aansluit bij hun potentieel om te leren. Diagnostiek in de leerlingbeleiding zou daarom inzicht moeten geven in hoe een kind begeleid kan worden in het verder ontwikkelen van zijn of haar sterke kanten terwijl het tegelijkertijd handvatten biedt voor het ondersteunen…
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Semi-empirical approach to the simulation of molecule-surface reaction dynamics
Catalysis is of extreme relevance in the production of everyday materials and plays a central role in many aspects of our life.
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Hybrid zone dynamics in amphibians
Hybrid zones occur where two species meet and produce offspring (hybrids). Typically, hybrids show a considerable reduction in fitness. In this thesis two hybrid zones are treated.
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Molecular Science & Technology
Tijdens de studie Molecular Science & Technology leren studenten te werken aan schonere en efficiëntere processen en worden zij opgeleid om nieuwe technologieën te ontwikkelen als antwoord op de uitdagingen van de toekomst: de groeiende vraag naar nieuwe producten en milieuvriendelijke processen. Bij…
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Molecular Science & Technology (BSc)
Bij de bacheloropleiding Molecular Science & Technology aan de Universiteit Leiden ontwikkelen studenten een sterke theoretische basis in de scheikunde en doen ze kennis van de technologische toepassingen op. Daarnaast leren studenten een bijdrage te leveren aan vraagstukken op het gebied van duurzaamheid,…
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Molecular Genetics and Biotechnology (MSc)
Deze opleiding integreert genetica, moleculaire biologie en biotechnologie in een aantrekkelijk programma met uitstekende carrièreperspectieven.
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Chaotic dynamics in N-body systems
Promotor: Prof.dr. S.F. Portegies Zwart
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Random walks in dynamic random environments
Promotor: W.Th.F. den Hollander
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Algorithms for the description of molecular sequences
Promotor: J.N. Kok, P.E. Slagboom Co-promotor: J.F.J. Laros
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Computerised Dynamic Testing
An assessment approach that tailors to children’s instructional needs
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Coherent dynamics in solar energy transduction
Promotor: Prof.dr. H.J.M. de Groot, Co-promotor: Francesco Buda
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Structure dependence of molecular reactions on surfaces
The research presented in this thesis makes use of small molecules (as H2 , D2 and O2 ) on well-defined single crystal surfaces (flat Pt(111), flat Cu(211) and curved Pt(111)) to elucidate the role of surface structure and degrees of freedom in the reactant in specific surface reactions.
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Chromatin dynamics in single genes
Hoe beinvloed de structuur van één enkel gen de activiteit van genen die gevoelig zijn voor hormonen?
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The role and analysis of molecular systems in electrocatalysis
Molecular complexes can be used as electrocatalysts for oxygen reduction, water oxidation, and/or hydrogen peroxide production.
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Explorations of Water Oxidation Catalysis in Explicit Solvent
In the search for sustainable energy solutions, the idea of artificial photosynthesis has been proposed as an approach with which to use water and sunlight to produce hydrogen.
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Flexible updating of dynamic knowledge structures
Het artikel 'Flexible updating of dynamic knowledge structures' met bijdrage van Franziska Richter van Cognitieve Psychologie is uitgebracht door Nature.
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PhD candidate in Molecular Plant Immunity
Wiskunde en Natuurwetenschappen, Instituut Biologie Leiden (IBL)
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Development of a Dynamic Substance Stock Model
Making a dynamic substance stock model in order to conduct scenario analyses and make forecasts.
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Molecular, Cellular and Organismal Biology (MSc)
Deze opleiding biedt de mogelijkheid om onderzoek op moleculair, cellulair en organismaal niveau te verenigen, maar biedt ook de mogelijkheid om je te specialiseren op één van deze niveaus.
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Unspinning chromatin: molecular mechanisms of chromatin remodeling
Ingen
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Some case studies of random walks in dynamic random environments
Promotor: Promotor: W.Th.F. den Hollander, Co-promotor: V. Sidoravicius.
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Dynamics and radiation from tidal disruption events
When a star gets too close to a supermassive black hole, it is torn apart by strong tidal forces in a tidal disruption event (TDE).
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Adaptive Semi-Strong Ecosystem Dynamics
Developing methodes to understand the evolution of patches in natural ecosystems
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Postdoc in modelling food system dynamics
Wiskunde en Natuurwetenschappen, Centrum voor Milieuwetenschappen Leiden (CML)
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Synthetic Methodology Towards ADP-Ribosylation Related Molecular Tools
Phosphorylation affects all four major biomolecules – proteins, lipids, carbohydrates and nucleic acids – and plays a pivotal role in the most fundamental cellular functions.
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Long term dynamics of stochastic evolution equations
Promotor: S.M. Verduyn Lunel, Co-promotor: O. van Gaans
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liquid fuels : on heterogeneous electrocatalysts and heterogenized molecular catalysts
With the energy transition toward a renewable energy supply and a CO2-neutral economy, electrification of the energy system is rising in importance, which leads to the challenge of long-term storage of renewable electricity.
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Atom addition reactions in interstellar ice - new pathways towards molecular complexity in space -
Promotor: Prof.dr. H.V.J. Linnartz, Co-Promotores: S. Ioppolo, H.M. Cuppen
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Systems vaccinology: molecular signatures of immunity to Bordetella pertussis
Promotor: G.F.A. Kersten, W. Jiskoot, Co-promotor: B. Metz
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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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A computational study of structural and excitonic properties of chlorosomes
The long-held desire - to link structure directly to function and to explain molecular mechanisms based on basic chemical or physical principles - is finally coming closer, satisfying not only our scientific curiosity but also offering new solutions to the many challenges in the field of health, energy…
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Molecular electronics: Controlled manipulation, noise and graphene architecture
Atoms and molecules are the basic units of matter. If we keep dividing a bar of gold or a glass of water into smaller parts, at the end we are left with a single gold atom or a water molecule.
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Heterogenized molecular (pre)catalysts for water oxidation and oxygen reduction
Before the large scale use of renewable energy sources can be implemented in our society, the storage of electrical energy needs to be tackled. Storage the energy as hydrogen via the reduction of protons is a good option.
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Dynamic organization of bacterial chromatin by DNA bridging proteins
Bacteria often experience external challenges, such as changes in environmental conditions or attacks by bacteriophages.
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Studies on molecular basics of metabolic syndrome in zebrafish
The research described in this thesis has, using the zebrafish as a model system, shed new light on the intricate relationship between TB and DM2, in particular on the role of leptin, SHP-1 and glucocorticoids.
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Dynamic real-time substrate feed optimization of anaerobic co-digestion plants
Promotores: Prof.dr. T.H.W. Bäck, Prof.dr. M. Bongards (Cologne University)
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spFRET studies of nucleosome dynamics modulated by histone modifications, histone variants and neighboring nucleosomes
Promotor: Prof.dr. T. Schmidt, Co-Promotor: S.J.T. van Noort
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Noisy Patterns: Bridging the gap between stochastics and dynamics
In this thesis, we study travelling waves in stochastic reaction-diffusion equations. We extend techniques from the deterministic theory for travelling waves to apply to the stochastic version, which allows us to compute the stochastic wave speed and shape, and draw conclusions on the stability of the…
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Catecholamine function, brain state dynamics, and human cognition
Het onderzoek in dit proefschrift kijkt naar de rol van het locus ceuruleus - noradrenalinesysteem in verscheidene aspecten van menselijke cognitie, en de modulatie van de staat van het brein.
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Queer and Trans migrations: Dynamics of illegalization, detention and deportation
Lezing, Lunch lecture by Prof. Eithne Luibhéid
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Evolution of Molecular Resistance to Snake Venom α-Neurotoxins in Vertebrates
We have examined sequences from the ligand-binding domain of the nicotinic acetyl choline receptor (nAChR) in 148 vertebrate species. We are in interested in this receptor because the α-neurotoxins of many venomous snakes binds to this receptor in its location at the neuromuscular junction in all ve…