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- 2024
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Mark
Perspective: multi-configurational methods in bio-inorganic chemistry
(
- Contribution to journal › Scientific review
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Mark
Conformational control of antimicrobial peptide amphiphilicity : consequences for boosting membrane interactions and antimicrobial effects of photocatalytic TiO2 nanoparticles
(
- Contribution to journal › Article
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An efficient method to establish electrostatic screening lengths of restricted primitive model electrolytes
(
- Contribution to journal › Article
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Soft X-ray absorption and fragmentation of tin-oxo cage photoresists
(
- Contribution to journal › Article
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Structural characterization of E22G Aβ1-42 fibrils via1H detected MAS NMR
2024) In Physical Chemistry Chemical Physics(
- Contribution to journal › Article
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Exploration of anion effects in solvothermal synthesis using in situ X-ray diffraction
(
- Contribution to journal › Article
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Structural characterisation of α-synuclein-membrane interactions and the resulting aggregation using small angle scattering
(
- Contribution to journal › Article
- 2023
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New types of complex motion of a simple camphor boat
(
- Contribution to journal › Article
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Two-body dissociation of isoxazole following double photoionization - an experimental PEPIPICO and theoretical DFT and MP2 study
(
- Contribution to journal › Article
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Effect of polymer addition on the phase behavior of oil-water-surfactant systems of Winsor III type
2023) In Physical Chemistry Chemical Physics(
- Contribution to journal › Scientific review
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Mark
A computational study of the reaction mechanism and stereospecificity of dihydropyrimidinase
(
- Contribution to journal › Article
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Mark
A method to capture the large relativistic and solvent effects on the UV-vis spectra of photo-activated metal complexes
(
- Contribution to journal › Article
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Energy-dependent timescales in the dissociation of diiodothiophene dication
(
- Contribution to journal › Article
- 2022
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Interaction of nanoparticles with lipid films : The role of symmetry and shape anisotropy
(
- Contribution to journal › Article
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The cobalt oxidation state in preferential CO oxidation on CoOx/Pt(111) investigated by operando X-ray photoemission spectroscopy
(
- Contribution to journal › Article
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Probing aqueous ions with non-local Auger relaxation
(
- Contribution to journal › Article
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Mark
A modified Jarzynski free-energy estimator to eliminate non-conservative forces and its application in nanoparticle-membrane interactions
(
- Contribution to journal › Article
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Anion-cation contrast of small molecule solvation in salt solutions
(
- Contribution to journal › Article
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Core-shell excitation of isoxazole at the C, N, and O K-edges - an experimental NEXAFS and theoretical TD-DFT study
(
- Contribution to journal › Article
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Mark
Electronic polarization effects on membrane translocation of anti-cancer drugs
(
- Contribution to journal › Article
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Electron transport via tyrosine-doped oligo-alanine peptide junctions : role of charges and hydrogen bonding
(
- Contribution to journal › Article
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Structural investigation of sulfobetaines and phospholipid monolayers at the air-water interface
(
- Contribution to journal › Article
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Mark
Revealing the sensing mechanism of a fluorescent pH probe based on a bichromophore approach
(
- Contribution to journal › Article
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An atomistic explanation of the ethanol-water azeotrope
(
- Contribution to journal › Article
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Soft X-ray signatures of cationic manganese-oxo systems, including a high-spin manganese(v) complex
(
- Contribution to journal › Article
- 2021
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Mark
Oxygen chemistry of halogen-doped CeO2(111)
(
- Contribution to journal › Article
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Photodissociation dynamics of halogenated aromatic molecules : The case of core-ionized tetrabromothiophene
(
- Contribution to journal › Article
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Propensity, free energy contributions and conformation of primary : N -alcohols at a water surface
(
- Contribution to journal › Article
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Mark
Structure and dynamics of highly concentrated LiTFSI/acetonitrile electrolytes
(
- Contribution to journal › Article
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Low temperature aging in a molecular glass : The case of: Cis -methyl formate
(
- Contribution to journal › Article
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Design of robust 2,2′-bipyridine ligand linkers for the stable immobilization of molecular catalysts on silicon(111) surfaces
(
- Contribution to journal › Article
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Mark
Electronic structure of the [Ni(Salen)] complex studied by core-level spectroscopies
(
- Contribution to journal › Article
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Mark
Unraveling electronic band structure of narrow-bandgap p-n nanojunctions in heterostructured nanowires
(
- Contribution to journal › Article
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Mark
Breaking inversion symmetry by protonation : Experimental and theoretical NEXAFS study of the diazynium ion, N2H+
(
- Contribution to journal › Article
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Mark
Time dependent reduced density matrix functional theory at strong correlation : Insights from a two-site Anderson impurity model
(
- Contribution to journal › Article
- 2020
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Mark
More than protection : The function of TiO2interlayers in hematite functionalized Si photoanodes
(
- Contribution to journal › Article
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Mark
In situ studies of the cathodic stability of single-crystalline IrO2(110) ultrathin films supported on RuO2(110)/Ru(0001) in an acidic environment
(
- Contribution to journal › Article
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Mark
HERFD-XANES probes of electronic structures of ironII/IIIcarbene complexes
(
- Contribution to journal › Article
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Mark
The carbon and oxygen K-edge NEXAFS spectra of CO+
(
- Contribution to journal › Article
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Mark
Highly efficient energy transfer from a water soluble zinc silver indium sulphide quantum dot to organic J-aggregates
(
- Contribution to journal › Article
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Mark
Investigating the influence of relativistic effects on absorption spectra for platinum complexes with light-activated activity against cancer cells
(
- Contribution to journal › Article
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Mark
Transient IR spectroscopy identifies key interactions and unravels new intermediates in the photocycle of a bacterial phytochrome
(
- Contribution to journal › Article
- 2019
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Mark
Extremely large differences in DFT energies for nitrogenase models
(
- Contribution to journal › Article
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Mark
Stability and behaviour in aqueous solutions of the anionic cubic silsesquioxane substituted with tetramethylammonium
(
- Contribution to journal › Article
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Mark
Experimental and theoretical 2p core-level spectra of size-selected gas-phase aluminum and silicon cluster cations : Chemical shifts, geometric structure, and coordination-dependent screening
(
- Contribution to journal › Article
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Mark
Bayesian determination of the effect of a deep eutectic solvent on the structure of lipid monolayers
(
- Contribution to journal › Article
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Mark
Are crystallographic : B-factors suitable for calculating protein conformational entropy?
(
- Contribution to journal › Article
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Mark
Visualizing the coordination-spheres of photoexcited transition metal complexes with ultrafast hard X-rays
(
- Contribution to journal › Article
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Mark
Mechanistic study of the reaction of CH 2 F 2 with Cl atoms in the absence and presence of CH 4 or C 2 H 6 : Decomposition of CHF 2 OH and fate of the CHF 2 O radical
(
- Contribution to journal › Article
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Mark
Influence of polar co-solutes and salt on the hydration of lipid membranes
(
- Contribution to journal › Article
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On short-ranged pair-potentials for long-range electrostatics
(
- Contribution to journal › Article
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Fission of charged nano-hydrated ammonia clusters-microscopic insights into the nucleation processes
(
- Contribution to journal › Article
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Mark
Block copolymers as bile salt sequestrants : Intriguing structures formed in a mixture of an oppositely charged amphiphilic block copolymer and bile salt
(
- Contribution to journal › Article
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Molecular insight into carboxylic acid-alkali metal cations interactions : Reversed affinities and ion-pair formation revealed by non-linear optics and simulations
(
- Contribution to journal › Article
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Mark
Electron spectroscopy of ionic liquids : Experimental identification of atomic orbital contributions to valence electronic structure
(
- Contribution to journal › Article
- 2018
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Mark
Evaporation, diffusion and self-assembly at drying interfaces
(
- Contribution to journal › Article
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Mark
TEMPO-oxidised cellulose nanofibrils; Probing the mechanisms of gelation : Via small angle X-ray scattering
(
- Contribution to journal › Article
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Mark
Bayesian analysis of single-particle tracking data using the nested-sampling algorithm: maximum-likelihood model selection applied to stochastic-diffusivity data
(
- Contribution to journal › Article
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Mark
Counterion binding alters surfactant self-assembly in deep eutectic solvents
(
- Contribution to journal › Article
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Mark
Shifted equilibria of organic acids and bases in the aqueous surface region
(
- Contribution to journal › Article
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Mark
Hydrogen bonds of the imidazolium rings of ionic liquids with DMSO studied by NMR, soft X-ray spectroscopy, and SANS
(
- Contribution to journal › Article
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Mark
Exploration of H2 binding to the [NiFe]-hydrogenase active site with multiconfigurational density functional theory
(
- Contribution to journal › Article
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Mark
The role of charge and proton transfer in fragmentation of hydrogen-bonded nanosystems : The breakup of ammonia clusters upon single photon multi-ionization
(
- Contribution to journal › Article
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Mark
Light and oxygen induce chain scission of conjugated polymers in solution
(
- Contribution to journal › Article
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Mark
Solvent control of charge transfer excited state relaxation pathways in [Fe(2,2′-bipyridine)(CN)4]2-
(
- Contribution to journal › Article
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Mark
Thermal reduction of ceria nanostructures on rhodium(111) and re-oxidation by CO2
(
- Contribution to journal › Article
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Mark
Strong enrichment of atmospherically relevant organic ions at the aqueous interface : The role of ion pairing and cooperative effects
(
- Contribution to journal › Article
- 2017
-
Mark
Time-resolved terahertz spectroscopy reveals the influence of charged sensitizing quantum dots on the electron dynamics in ZnO
(
- Contribution to journal › Article
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Mark
Metal-passivated PbS nanoparticles : Fabrication and characterization
(
- Contribution to journal › Article
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Mark
Beam-profile-compensated quantum yield measurements of upconverting nanoparticles
(
- Contribution to journal › Article
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Spectroscopic characterization of the on-surface induced (cyclo)dehydrogenation of a N-heteroaromatic compound on noble metal surfaces
(
- Contribution to journal › Article
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Probing RbBr solvation in freestanding sub-2 nm water clusters
(
- Contribution to journal › Article
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Modeling the absorption spectrum of the permanganate ion in vacuum and in aqueous solution
(
- Contribution to journal › Article
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Investigating the evolving microstructure of lithium metal electrodes in 3D using X-ray computed tomography
(
- Contribution to journal › Article
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Electrostatic interactions in concentrated colloidal dispersions
(
- Contribution to journal › Article
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Mark
Swelling of micro-hydrogels with a crosslinker gradient
(
- Contribution to journal › Article
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The relevance of structural features of cellulose and its interactions to dissolution, regeneration, gelation and plasticization phenomena
(
- Contribution to journal › Scientific review
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Mark
Membrane interactions and antimicrobial effects of layered double hydroxide nanoparticles
(
- Contribution to journal › Article
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Mark
Lead(ii) soaps : Crystal structures, polymorphism, and solid and liquid mesophases
(
- Contribution to journal › Article
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Mark
H2 binding to the active site of [NiFe] hydrogenase studied by multiconfigurational and coupled-cluster methods
(
- Contribution to journal › Article
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Mark
Mastering the magnetic susceptibility of magnetically responsive bicelles with 3β-amino-5-cholestene and complexed lanthanide ions
(
- Contribution to journal › Article
- 2016
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Mark
Correlating structure and electronic band-edge properties in organolead halide perovskites nanoparticles
(
- Contribution to journal › Article
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Mark
Growth and structure of ultrathin praseodymium oxide layers on ruthenium(0001)
2016) In Physical Chemistry Chemical Physics(
- Contribution to journal › Article
-
Mark
Interfacial properties of POPC/GDO liquid crystalline nanoparticles deposited on anionic and cationic silica surfaces
(
- Contribution to journal › Article
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Mark
Hot electron and hole dynamics in thiol-capped CdSe quantum dots revealed by 2D electronic spectroscopy
(
- Contribution to journal › Article
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Mark
Micelle structure in a deep eutectic solvent : A small-angle scattering study
(
- Contribution to journal › Article
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Mark
Osmotic pressures of lysozyme solutions from gas-like to crystal states
(
- Contribution to journal › Article
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Mark
The structure-function relationship for alumina supported platinum during the formation of ammonia from nitrogen oxide and hydrogen in the presence of oxygen
(
- Contribution to journal › Article
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Mark
Theoretical predictions of structures in dispersions containing charged colloidal particles and non-adsorbing polymers
(
- Contribution to journal › Article
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Mark
A neutron scattering and modelling study of aqueous solutions of tetramethylammonium and tetrapropylammonium bromide
(
- Contribution to journal › Article
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Mark
Alcohols at the aqueous surface : Chain length and isomer effects
(
- Contribution to journal › Article
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Mark
Micellization of alkyltrimethylammonium bromide surfactants in choline chloride:glycerol deep eutectic solvent
(
- Contribution to journal › Article
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Mark
Protein conformation in pure and hydrated deep eutectic solvents
(
- Contribution to journal › Article
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Mark
Elucidating dominant pathways of the nano-particle self-assembly process
(
- Contribution to journal › Article
- 2015
-
Mark
Hierarchical molecular dynamics of bovine serum albumin in concentrated aqueous solution below and above thermal denaturation
(
- Contribution to journal › Article
- 2014
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Mark
In situ oxidation study of Pd-Rh nanoparticles on MgAl 2 O 4 (001)
(
- Contribution to journal › Article
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Mark
Solvation dependence of valence electronic states of water diluted in organic solvents probed by soft X-ray spectroscopy
(
- Contribution to journal › Article
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Mark
Melt-infiltration of spiro-OMeTAD and thermal instability of solid-state dye-sensitized solar cells
(
- Contribution to journal › Article
- 2013
-
Mark
Highly soluble energy relay dyes for dye-sensitized solar cells
(
- Contribution to journal › Article
- 2012
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Mark
Hydration and interactions in protein solutions containing concentrated electrolytes studied by small-angle scattering
(
- Contribution to journal › Article