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- 2024
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Mark
Excited-state dynamics of 4-hydroxyisoindoline-1,3-dione and its derivative as fluorescent probes
(
- Contribution to journal › Article
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H2 formation from the E2–E4 states of nitrogenase
(
- Contribution to journal › Article
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Ultrafast dynamics of fluorene initiated by highly intense laser fields
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- Contribution to journal › Article
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Bismuth-oxide nanoparticles: study in a beam and as deposited
(
- Contribution to journal › Article
- 2023
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Photodissociation of bromine-substituted nitroimidazole radiosensitizers
(
- Contribution to journal › Article
- 2022
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SAXS data modelling for the characterisation of ion tracks in polymers
(
- Contribution to journal › Article
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Coincidence study of core-ionized adamantane: Site-sensitivity within a carbon cage?
(
- Contribution to journal › Article
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How general is the effect of the bulkiness of organic ligands on the basicity of metal-organic catalysts? H2-evolving Mo oxides/sulphides as case studies
(
- Contribution to journal › Article
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Site-dependent nuclear dynamics in core-excited butadiene
(
- Contribution to journal › Article
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The Kinetic Energy of PAH Dication and Trication Dissociation Determined by Recoil-Frame Covariance Map Imaging
(
- Contribution to journal › Article
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Molecular dynamics simulations and solid-state nuclear magnetic resonance spectroscopy measurements of C–H bond order parameters and effective correlation times in a POPC-GM3 bilayer
(
- Contribution to journal › Article
- 2020
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Multi-particle momentum correlations extracted using covariance methods on multiple-ionization of diiodomethane molecules by soft-X-ray free-electron laser pulses
(
- Contribution to journal › Article
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Tube to ribbon transition in a self-assembling model peptide system
(
- Contribution to journal › Article
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Grand canonical simulations of ions between charged conducting surfaces using exact 3D Ewald summations
(
- Contribution to journal › Article
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Quantification of the amount of mobile components in intact stratum corneum with natural-abundance 13C solid-state NMR
(
- Contribution to journal › Article
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Water-polyamide chemical interplay in desalination membranes explored by ambient pressure X-ray photoelectron spectroscopy
(
- Contribution to journal › Article
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Evolution of the structure and dynamics of bovine serum albumin induced by thermal denaturation
(
- Contribution to journal › Article
- 2019
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Mark
Tin-oxide nanoparticles deposited from a beam : what happens to the composition?
(
- Contribution to journal › Article
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Impact of effective polarisability models on the near-field interaction of dissolved greenhouse gases at ice and air interfaces
(
- Contribution to journal › Article
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Adsorption, surface relaxation and electrolyte structure at Pt(111) electrodes in non-aqueous and aqueous acetonitrile electrolytes
(
- Contribution to journal › Article
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Temperature dependent specific ion effects in mixed salt environments on a thermoresponsive poly(oligoethylene glycol methacrylate) brush
(
- Contribution to journal › Article
- 2018
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Mark
Tuning phase transitions of aqueous protein solutions by multivalent cations
(
- Contribution to journal › Article
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Effect of amino group protonation on the carboxyl group in aqueous glycine observed by O 1s X-ray emission spectroscopy
(
- Contribution to journal › Article
- 2017
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Supramolecular assembly of thermoresponsive steroidal surfactant with oppositely charged thermoresponsive block copolymer
(
- Contribution to journal › Article
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Dissociation of cyclopropane in double ionization continuum
(
- Contribution to journal › Article
- 2016
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Director orientations in lyotropic liquid crystals: diffusion MRI mapping of the Saupe order tensor.
(
- Contribution to journal › Article
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Density-induced reentrant melting of colloidal Wigner crystals.
2016) In Physical chemistry chemical physics : PCCP(
- Contribution to journal › Article
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A new potassium-based intermediate and its role in the desorption properties of the K-Mg-N-H system.
(
- Contribution to journal › Article
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Fused coarse-grained model of aromatic ionic liquids and their behaviour at electrodes.
(
- Contribution to journal › Article
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Design and characterisation of bodipy sensitizers for dye-sensitized NiO solar cells.
(
- Contribution to journal › Article
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Step dynamics and oxide formation during CO oxidation over a vicinal Pd surface.
(
- Contribution to journal › Article
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Hydrogen adsorption on two catalysts for the ortho- to parahydrogen conversion : Cr-doped silica and ferric oxide gel
(
- Contribution to journal › Article
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Specific ion modulated thermoresponse of poly (N-isopropylacrylamide) brushes
(
- Contribution to journal › Article
- 2015
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Multiscale modeling of the trihexyltetradecylphosphonium chloride ionic liquid
(
- Contribution to journal › Article
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Gated electron transfer reactions of truncated hemoglobin from Bacillus subtilis differently orientated on SAM-modified electrodes
(
- Contribution to journal › Article
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Surface behavior of amphiphiles in aqueous solution: a comparison between different pentanol isomers
(
- Contribution to journal › Article
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Surface site coordination dependent responses resolved in free clusters: applications for neutral sub-nanometer cluster studies
(
- Contribution to journal › Article
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A microfluidic platform for quantitative measurements of effective protein charges and single ion binding in solution
(
- Contribution to journal › Article
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On the lag phase in amyloid fibril formation
(
- Contribution to journal › Article
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The effect of lithium salt doping on the nanostructure of ionic liquids
(
- Contribution to journal › Article
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Molecular dynamics of NH3 induced by core-electron excitation
(
- Contribution to journal › Article
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Mechanistic insights into perovskite photoluminescence enhancement: light curing with oxygen can boost yield thousandfold
(
- Contribution to journal › Article
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Oxidation of the GaAs semiconductor at the Al2O3/GaAs junction
(
- Contribution to journal › Article
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The influence of large-amplitude librational motion on the hydrogen bond energy for alcohol-water complexes
(
- Contribution to journal › Article
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Correlation between stoichiometry and surface structure of the polar MgAl2O4(100) surface as a function of annealing temperature
(
- Contribution to journal › Article
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Direct electron transfer of Phanerochaete chrysosporium cellobiose dehydrogenase at platinum and palladium nanoparticles decorated carbon nanotubes modified electrodes
(
- Contribution to journal › Article
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Donor-anion interactions at the charge localization and charge ordering transitions of (TMTTF)(2)AsF6 probed by NEXAFS
(
- Contribution to journal › Article
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Sequential "click'' functionalization of mesoporous titania for energy-relay dye enhanced dye-sensitized solar cells
(
- Contribution to journal › Article
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Rational design of D-A1-D-A2 conjugated polymers with superior spectral coverage.
(
- Contribution to journal › Article
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Engineering of pyranose dehydrogenase for application to enzymatic anodes in biofuel cells.
(
- Contribution to journal › Article
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Nature of flocculation and tactoid formation in montmorillonite: the role of pH.
(
- Contribution to journal › Article
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Hydrophobic effects within the dynamic pH-response of polybasic tertiary amine methacrylate brushes
(
- Contribution to journal › Article
- 2014
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Mark
Effect of arginine-rich cell penetrating peptides on membrane pore formation and life-times: a molecular simulation study
(
- Contribution to journal › Article
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Carrier motion in as-spun and annealed P3HT:PCBM blends revealed by ultrafast optical electric field probing and Monte Carlo simulations
(
- Contribution to journal › Article
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The nature of coherences in the B820 bacteriochlorophyll dimer revealed by two-dimensional electronic spectroscopy
(
- Contribution to journal › Article
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Ozonolysis of methyl oleate monolayers at the air-water interface: oxidation kinetics, reaction products and atmospheric implications
(
- Contribution to journal › Article
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Theoretical Fe-57 Mossbauer spectroscopy: isomer shifts of [Fe]- hydrogenase intermediates
(
- Contribution to journal › Article
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Accurate calculations of geometries and singlet-triplet energy differences for active-site models of [NiFe] hydrogenase
(
- Contribution to journal › Article
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The structure of deuterated benzene films adsorbed on the graphite (0001) basal plane: what happens below and above the monolayer coverage?
(
- Contribution to journal › Article
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Computational assignment of redox states to Coulomb blockade diamonds
(
- Contribution to journal › Article
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Succinic acid in aqueous solution: connecting microscopic surface composition and macroscopic surface tension
(
- Contribution to journal › Article
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On the self-assembly of a tryptophan labeled deoxycholic acid
(
- Contribution to journal › Article
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The growth of charged platelets
(
- Contribution to journal › Article
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Light-harvesting capabilities of low band gap donor-acceptor polymers.
(
- Contribution to journal › Article
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Complexes formed between DNA and poly(amido amine) dendrimers of different generations - modelling DNA wrapping and penetration.
(
- Contribution to journal › Article
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Photo-electrochemical communication between cyanobacteria (Leptolyngbia sp.) and osmium redox polymer modified electrodes.
(
- Contribution to journal › Article
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Structure and kinetics of chemically cross-linked protein gels from small-angle X-ray scattering.
(
- Contribution to journal › Article
- 2013
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Mark
In situ reduction study of cobalt model Fischer-Tropsch synthesis catalysts
(
- Contribution to journal › Article
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Mechanisms behind sulfur promoted oxidation of methane
(
- Contribution to journal › Article
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Directly measuring reaction kinetics of (center dot)QOOH - a crucial but elusive intermediate in hydrocarbon autoignition
(
- Contribution to journal › Article
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Collective hydrogen-bond dynamics dictates the electronic structure of aqueous I-3(-)
(
- Contribution to journal › Article
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Heterogeneous reaction between Li and anatase TiO2 nanoparticles under ultra-high vacuum
(
- Contribution to journal › Article
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Cholesterol and POPC segmental order parameters in lipid membranes: solid state (1)H-(13)C NMR and MD simulation studies.
(
- Contribution to journal › Article
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Optical properties of single coupled plasmonic nanoparticles
(
- Contribution to journal › Article
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Rapid bond rearrangement in core-excited molecular water.
(
- Contribution to journal › Article
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Evidence of excited state localization and static disorder in LH2 investigated by 2D-polarization single-molecule imaging at room temperature.
(
- Contribution to journal › Article
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pH Sensitive Tubules of a Bile Acid Derivative: a Tubule Opening by Release of Wall Leaves
(
- Contribution to journal › Article
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On the origin of the halo stabilization.
(
- Contribution to journal › Article
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Comparison of MM/GBSA calculations based on explicit and implicit solvent simulations.
(
- Contribution to journal › Article
- 2012
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Probing hydrogen positions in hydrous compounds: information from parametric neutron powder diffraction studies
(
- Contribution to journal › Article
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Convergence of QM/MM free-energy perturbations based on molecular-mechanics or semiempirical simulations.
(
- Contribution to journal › Article
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Aqueous phase behavior of polyelectrolytes with amphiphilic counterions modulated by cyclodextrin: the role of polyion flexibility.
(
- Contribution to journal › Article
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Generic pathways to stability in concentrated protein mixtures
(
- Contribution to journal › Article
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Photophysics of indole-2-carboxylic acid in an aqueous environment studied by fluorescence spectroscopy in combination with ab initio calculations.
(
- Contribution to journal › Article
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Reversible formation of a PdCx phase in Pd nanoparticles upon CO and O-2 exposure
(
- Contribution to journal › Article
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Mapping the location of grafted PNIPAAM in mesoporous SBA-15 silica using gas adsorption analysis.
(
- Contribution to journal › Article
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Will molecular dynamics simulations of proteins ever reach equilibrium?
(
- Contribution to journal › Article
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The Stern-Gerlach experiment and the effects of spin relaxation.
(
- Contribution to journal › Article
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Solvation and ion-pairing properties of the aqueous sulfate anion: explicit versus effective electronic polarization
(
- Contribution to journal › Article
- 2011
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Unraveling the similarity of the photoabsorption of deprotonated p-coumaric acid in the gas phase and within the photoactive yellow protein
(
- Contribution to journal › Article
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Surface structure and reactivity of Pd(100) during CO oxidation near ambient pressures
(
- Contribution to journal › Article
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Carbon nanotubes as photoprotectors of organic dyes: reversible photoreaction instead of permanent photo-oxidation.
(
- Contribution to journal › Article
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Analytical theory of ideal polydisperse polymers at interfaces
(
- Contribution to journal › Article
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Size and Morphology of Assemblies Formed by DNA and Lysozyme in Dilute Aqueous Mixtures
(
- Contribution to journal › Article
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The transition from a molecular to a continuum solvent in electrical double layers showing ion-ion correlation effects.
(
- Contribution to journal › Article
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Simple model for the growth behaviour of mixed lecithin-bile salt micelles
(
- Contribution to journal › Article
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The protonation state of small carboxylic acids at the water surface from photoelectron spectroscopy
(
- Contribution to journal › Article
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The aqueous phase behavior of polyion-surfactant ion complex salts mixed with nonionic surfactants.
(
- Contribution to journal › Article
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Functionality of epidermal melanin pigments: current knowledge on UV-dissipative mechanisms and research perspectives.
(
- Contribution to journal › Article
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Proton mobility and stability of water clusters containing the bisulfate anion, HSO4-(H2O)n
(
- Contribution to journal › Article
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Isotope exchange in reactions between D2O and size-selected ionic water clusters containing pyridine, H+(pyridine)m(H2O)n
(
- Contribution to journal › Article
- 2010
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Mark
Electron spin relaxation at low field
(
- Contribution to journal › Article
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The effect of PAMAM G6 dendrimers on the structure of lipid vesicles
(
- Contribution to journal › Article
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Controlling particle morphology and size in the synthesis of mesoporous SBA-15 materials
(
- Contribution to journal › Article
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The influence of concentration on the molecular surface structure of simple and mixed aqueous electrolytes
(
- Contribution to journal › Article
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Utilizing high performance computing for chemistry: parallel computational chemistry
(
- Contribution to journal › Article
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Single chain versus single aggregate spectroscopy of conjugated polymers. Where is the border?
(
- Contribution to journal › Article
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Electronic structure changes in cobalt phthalocyanine due to nanotube encapsulation probed using resonant inelastic X-ray scattering
(
- Contribution to journal › Article
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Mark
Feasibility of in vivo N-15 MRS detection of hyperpolarized N-15 labeled choline in rats
(
- Contribution to journal › Article
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Surface adsorbate vibrations explored by infrared spectroscopy and DFT cluster calculations at the anharmonic level: CO on Cu(100).
(
- Contribution to journal › Article
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Photochemistry of carbon monoxide and methanol in water and nitric acid hydrate ices: A NEXAFS study
(
- Contribution to journal › Article
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Dynamic response of chlorine atoms on a RuO2(110) model catalyst surface
(
- Contribution to journal › Article
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High water mobility on the ice-binding surface of a hyperactive antifreeze protein.
(
- Contribution to journal › Article
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Ordering fluctuations in a shear-banding wormlike micellar system
(
- Contribution to journal › Article
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Fluorescence resonance energy transfer between phenanthrene and PAMAM dendrimers.
(
- Contribution to journal › Article
- 2009
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Study of substituent effects for aliphatic CH3-X compounds by resonant Auger spectroscopy
(
- Contribution to journal › Article
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Morphology of SBA-15-directed by association processes and surface energies.
(
- Contribution to journal › Article
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Chemical and electromagnetic mechanisms of tip-enhanced Raman scattering
(
- Contribution to journal › Article
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Charge delocalization dynamics of ammonia in different hydrogen bonding environments: free clusters and in liquid water solution
(
- Contribution to journal › Article
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Coupled transport processes in responding membranes: the case of a single gradient
(
- Contribution to journal › Article
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Association and electrostatic steering of alpha-lactalbumin-lysozyme heterodimers
(
- Contribution to journal › Article
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Phase transition pathways for the production of 100 nm oil-in-water emulsions
(
- Contribution to journal › Article
- 2008
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A membrane-, mediator-, cofactor-less glucose/oxygen biofuel cell.
(
- Contribution to journal › Article
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Segmental order parameters in a nonionic surfactant lamellar phase studied with 1H-13C solid-state NMR.
(
- Contribution to journal › Article
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Variation of polarizability in the [4n+2] annulene series: from [22]- to [66]-annulene
(
- Contribution to journal › Article
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A study of electron transfer in Ru(dcbpy)(2)(NCS)(2) sensitized nanocrystalline TiO2 and SnO2 films induced by red-wing excitation
(
- Contribution to journal › Article
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Mark
Structure of lyotropic self-assembled lipid nonlamellar liquid crystals and their nanoparticles in mixtures of phosphatidyl choline and alpha-tocopherol (vitamin E)
(
- Contribution to journal › Article
- 2007
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Mark
Appearance of intramolecular high-frequency vibrations in two-dimensional, time-integrated three-pulse photon echo data
(
- Contribution to journal › Article
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Redistribution of emitting state population in conjugated polymers probed by single-molecule fluorescence polarization spectroscopy
(
- Contribution to journal › Article
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A comprehensive and compact n-heptane oxidation model derived using chemical lumping
(
- Contribution to journal › Article
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Fluorescence emission from photo-fragments after resonant S 2p excitations in H2S
(
- Contribution to journal › Article
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p-Benzoquinone in aqueous solution: Stark shifts in spectra, asymmetry in solvent structure
(
- Contribution to journal › Article
- 2006
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Lineshapes in carbon 1s photoelectron spectra of methanol clusters
(
- Contribution to journal › Article
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The far from equilibrium structure of argon clusters doped with krypton or xenon
(
- Contribution to journal › Article
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Photoluminescence spectra of a conjugated polymer: from films and solutions to single molecules
(
- Contribution to journal › Article
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VUV photon induced fluorescence study of SF5CF3
(
- Contribution to journal › Article
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Mark
How accurate is the CASPT2 method?
(
- Contribution to journal › Article
- 2005
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Observation and rovibrational analysis of the intermolecular HCl libration band nu(1)(6) of HCN-HCl, DCN-HCl and (HCN)-C-13-HCl
(
- Contribution to journal › Article
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Mark
A very short uranium-uranium bond: The predicted metastable U-2(2+)
(
- Contribution to journal › Article
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Mark
Ground state and electronic spectrum of Cu(II) and Cu(III) complexes of N,N '-1,2-phenylenebis-2-mercaptoacetamide
(
- Contribution to journal › Article
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Mark
Thermotropic phase behaviour of long-chain alkylmaltosides
(
- Contribution to journal › Article
- 2004
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Mark
Relativistic quantum chemistry: the multiconfigurational approach
(
- Contribution to journal › Article
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Effect of a conjugated carbonyl group on the photophysical properties of carotenoids
(
- Contribution to journal › Article
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Observation and assignment of the hot band nu(2)+nu(1)(9)-nu(1)(9) in (HCN)(2)
(
- Contribution to journal › Article
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Cryo-TEM of isolated milk fat globule membrane structures in cream
(
- Contribution to journal › Article
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Tuning proton coupled electron transfer from tyrosine: A competition between concerted and step-wise mechanisms
(
- Contribution to journal › Article
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The HOOH-HOO complex. A matrix isolation study
(
- Contribution to journal › Article
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A detailed chemical reaction mechanism for the oxidation of hydrocarbons and its application to the analysis of benzene formation in fuel-rich premixed laminar acetylene and propene flames
(
- Contribution to journal › Article
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Mark
Are Hartree-Fock atoms too small or too large?
(
- Contribution to journal › Article
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DNA compaction by cationic surfactant in solution and at polystyrene particle solution interfaces: a dynamic light scattering study
(
- Contribution to journal › Article
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Mark
Relaxation behaviour of the tyrosine Y-D radical in photosystem II: evidence for strong dipolar interaction with paramagnetic centers in the S-1 and S-2 states
(
- Contribution to journal › Article
- 2003
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Mark
Phase diagram and physicochemical properties of the n-octyl alpha-D-glucoside/water system
(
- Contribution to journal › Article
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The equilibrium structure of trans-glyoxal from experimental rotational constants and calculated vibration-rotation interaction constants
(
- Contribution to journal › Article
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On the effective interaction between an ion and a hydrophobic particle in polar solvents. A step towards an understanding of the hofmeister effect?
(
- Contribution to journal › Article
- 2002
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The water dimer in a too tight matrix cage
(
- Contribution to journal › Article
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A coupled cluster response study of the electric dipole polarizability, first and second hyperpolarizabilities of HCl
(
- Contribution to journal › Article
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Vibrational structure and vibronic coupling in the carbon 1s photoelectron spectra of benzene and deuterobenzene
(
- Contribution to journal › Article
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Proteins in vacuo. A connection between mean overcrossing number and orientationally-averaged collision cross section
(
- Contribution to journal › Article
- 2001
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Lipid-Block Copolymer-Immiscibility
(
- Contribution to journal › Article