about
Many-body dispersion effects in the binding of adsorbates on metal surfaces.Interpretation of x-ray absorption spectroscopy in the presence of surface hybridization.Solvation of carbon nanotubes by aniline calculated with density functional tight binding.Broken symmetry of an adsorbed molecular switch determined by scanning tunneling spectroscopy.Temperature-dependent templated growth of porphine thin films on the (111) facets of copper and silver.Global Materials Structure Search with Chemically Motivated Coordinates.Structure and Stability of Molecular Crystals with Many-Body Dispersion-Inclusive Density Functional Tight Binding.Electron-Hole-Pair-Induced Vibrational Energy Relaxation of Rhenium Catalysts on Gold Surfaces.Erratum: Role of Tensorial Electronic Friction in Energy Transfer at Metal Surfaces [Phys. Rev. Lett. 116, 217601 (2016)].Excited-state potential-energy surfaces of metal-adsorbed organic molecules from linear expansion Δ-self-consistent field density-functional theory (ΔSCF-DFT).Thermal and Electronic Fluctuations of Flexible Adsorbed Molecules: Azobenzene on Ag(111).Spin Manipulation by Creation of Single-Molecule Radical Cations.Global structure search for molecules on surfaces: Efficient sampling with curvilinear coordinates.Role of Tensorial Electronic Friction in Energy Transfer at Metal Surfaces.Dynamics of Spatially Confined Bisphenol A Trimers in a Unimolecular Network on Ag(111).Photoswitching in nanoporous, crystalline solids: an experimental and theoretical study for azobenzene linkers incorporated in MOFs.The Structure of VOPc on Cu(111): Does V=O Point Up, or Down, or Both?Adhesion, forces and the stability of interfacesTracking Metal Electrodeposition Dynamics from Nucleation and Growth of a Single Atom to a Crystalline NanoparticleCoverage-driven dissociation of azobenzene on Cu(111): a route towards defined surface functionalizationHot electron effects during reactive scattering of H2 from Ag(111): assessing the sensitivity to initial conditions, coupling magnitude, and electronic temperatureHot-electron effects during reactive scattering of H from Ag(111): the interplay between mode-specific electronic friction and the potential energy landscapeInterfacial charge rearrangement and intermolecular interactions: Density-functional theory study of free-base porphine adsorbed on Ag(111) and Cu(111).Assessing computationally efficient isomerization dynamics: ΔSCF density-functional theory study of azobenzene molecular switchingBistability loss as a key feature in azobenzene (non-)switching on metal surfacesHighly concentrated emulsified microemulsions as solvent-free plant protection formulationsAdsorption of glucose, cellobiose, and cellotetraose onto cellulose model surfacesCommunication: Charge-population based dispersion interactions for molecules and materialsMode Specific Electronic Friction in Dissociative Chemisorption on Metal Surfaces: H_{2} on Ag(111)Switching of an Azobenzene-Tripod Molecule on Ag(111)Computational design of metal-supported molecular switches: transient ion formation during light- and electron-induced isomerisation of azobenzenePerformance of van der Waals DFT approaches for helium diffraction on metal surfacesUnifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctionsEmerging opportunities and future directions: general discussionDFTB+, a software package for efficient approximate density functional theory based atomistic simulationsZero-point energy and tunnelling: general discussionApplications in catalysis, photochemistry, and photodetection: general discussionNew materials for hot electron generation: general discussionDynamics of hot electron generation in metallic nanostructures: general discussionTheory of hot electrons: general discussion
P50
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P50
description
hulumtues
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researcher
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հետազոտող
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name
Reinhard J Maurer
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Reinhard J Maurer
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Reinhard J Maurer
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Reinhard J Maurer
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Reinhard J Maurer
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راينهارد جيه مورير
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Reinhard J Maurer
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Reinhard J Maurer
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Reinhard J Maurer
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Reinhard J Maurer
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Reinhard J Maurer
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راينهارد جيه مورير
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Reinhard J. Maurer
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Reinhard J Maurer
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Reinhard J Maurer
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Reinhard J Maurer
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Reinhard J Maurer
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Reinhard J Maurer
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راينهارد جيه مورير
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P1053
A-4791-2013
P106
P21
P31
P3829
P496
0000-0002-3004-785X