Leeor Kronik
Kronik, Leeor
קרוניק, ליאור
VIAF ID: 19151170941939090711 (Personal)
Permalink: http://viaf.org/viaf/19151170941939090711
Preferred Forms
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- 100 0 _ ‡a Leeor Kronik
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4xx's: Alternate Name Forms (3)
Works
Title | Sources |
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Charge-Transfer-Like π→π* Excitations in Time-Dependent Density Functional Theory: A Conundrum and Its Solution | |
Charge transport across metal/molecular (alkyl) monolayer-Si junctions is dominated by the LUMO level | |
Cold denaturation induces inversion of dipole and spin transfer in chiral peptide monolayers | |
Collectively induced quantum-confined Stark effect in monolayers of molecules consisting of polar repeating units | |
Computing surface dipoles and potentials of self-assembled monolayers from first principles | |
Constructing the Electronic Structure of CH3NH3PbI3 and CH3NH3PbBr3 Perovskite Thin Films from Single-Crystal Band Structure Measurements | |
Cooperative effects in molecular conduction II: The semiconductor-metal molecular junction. | |
Describing Both Dispersion Interactions and Electronic Structure Using Density Functional Theory: The Case of Metal-Phthalocyanine Dimers. | |
Dielectric Screening Meets Optimally Tuned Density Functionals. | |
Dimensionality effects in the electronic structure of organic semiconductors consisting of polar repeat units | |
Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals. | |
Distinction between surface and bulk states in surface-photovoltage spectroscopy | |
Effect of ensemble generalization on the highest-occupied Kohn-Sham eigenvalue. | |
The effect of ionic composition on acoustic phonon speeds in hybrid perovskites from Brillouin spectroscopy and density functional theory | |
Effect of Molecule-Surface Reaction Mechanism on the Electronic Characteristics and Photovoltaic Performance of Molecularly Modified Si | |
Electronic structure of CoPc adsorbed on Ag(100): Evidence for molecule-substrate interaction mediated by Co 3dorbitals | |
Electronic structure of dipeptides in the gas-phase and as an adsorbed monolayer | |
Electronic Transport via Homopeptides: The Role of Side Chains and Secondary Structure | |
Electrostatic Properties of Adsorbed Polar Molecules: Opposite Behavior of a Single Molecule and a Molecular Monolayer | |
Enhanced Magnetoresistance in Molecular Junctions by Geometrical Optimization of Spin-Selective Orbital Hybridization | |
Experimental and theoretical electronic structure of quinacridone | |
Fully Numerical All-Electron Solutions of the Optimized Effective Potential Equation for Diatomic Molecules. | |
Fundamental Gaps in Finite Systems from Eigenvalues of a Generalized Kohn-Sham Method | |
Fundamental gaps with approximate density functionals: the derivative discontinuity revealed from ensemble considerations. | |
“Guanigma”: The Revised Structure of Biogenic Anhydrous Guanine | |
Guanine and 7,8-Dihydroxanthopterin Reflecting Crystals in the Zander Fish Eye: Crystal Locations, Compositions, and Structures | |
High Chloride Doping Levels Stabilize the Perovskite Phase of Cesium Lead Iodide. | |
Highest electron affinity as a predictor of cluster anion structures | |
Hybrid Organic-Inorganic Perovskites (HOIPs): Opportunities and Challenges. | |
Hybridization and bond-orbital components in site-specific X-ray photoelectron spectra of rutile TiO2 | |
Hybrids of Organic Molecules and Flat, Oxide-Free Silicon: High-Density Monolayers, Electronic Properties, and Functionalization | |
Interlayer Potential for Graphene/h-BN Heterostructures | |
Interplay of Bias-Driven Charging and the Vibrational Stark Effect in Molecular Junctions | |
Light-induced picosecond rotational disordering of the inorganic sublattice in hybrid perovskites. | |
Local atomic order and infrared spectra of biogenic calcite | |
Local Polar Fluctuations in Lead Halide Perovskite Crystals. | |
Locally Refined Multigrid Solution of the All-Electron Kohn-Sham Equation | |
Long-Range Spin-Selective Transport in Chiral Metal-Organic Crystals with Temperature-Activated Magnetization | |
Low-lying excited states in crystalline perylene. | |
Measurements of the stabilities of isolated retinal chromophores | |
Mechanical and Tribological Properties of Layered Materials under High Pressure: Assessing the Importance of Many-Body Dispersion Effects | |
The Molecularly Controlled Semiconductor Resistor: How does it work? | |
Molecule-lead coupling at molecular junctions: relation between the real- and state-space perspectives | |
Optically functional isoxanthopterin crystals in the mirrored eyes of decapod crustaceans. | |
Origin and structure of polar domains in doped molecular crystals. | |
Piecewise linearity, freedom from self-interaction, and a Coulomb asymptotic potential: three related yet inequivalent properties of the exact density functional | |
Piecewise linearity of approximate density functionals revisited: implications for frontier orbital energies. | |
Polarizability of Small Carbon Cluster Anions from First Principles | |
Polarizability, Susceptibility, and Dielectric Constant of Nanometer-Scale Molecular Films: A Microscopic View | |
Prediction of charge-transfer excitations in coumarin-based dyes using a range-separated functional tuned from first principles | |
Probing the orbital origin of conductance oscillations in atomic chains | |
Radiation damage to alkyl chain monolayers on semiconductor substrates investigated by electron spectroscopy. | |
Real-space pseudopotential method for first principles calculations of general periodic and partially periodic systems | |
Reliable energy level alignment at physisorbed molecule-metal interfaces from density functional theory. | |
Role of Dispersive Interactions in Determining Structural Properties of Organic-Inorganic Halide Perovskites: Insights from First-Principles Calculations | |
Separation of enantiomers by their enantiospecific interaction with achiral magnetic substrates | |
Simultaneous Determination of Structures, Vibrations, and Frontier Orbital Energies from a Self-Consistent Range-Separated Hybrid Functional. | |
Single Excitation Energies Obtained from the Ensemble “HOMO–LUMO Gap”: Exact Results and Approximations | |
Space-Filling Curves for Real-Space Electronic Structure Calculations | |
Spin injection across the Fe/GaAs interface: Role of interfacial ordering | |
Stacking and registry effects in layered materials: the case of hexagonal boron nitride | |
State Representation Approach for Atomistic Time-Dependent Transport Calculations in Molecular Junctions. | |
Tangential Ligand-Induced Strain in Icosahedral Au13 | |
Terahertz spectroscopy of 2,4,6-trinitrotoluene molecular solids from first principles. | |
Theory of hydrogen migration in organic-inorganic halide perovskites | |
Topical review: Time-dependent density-functional calculations for the optical spectra of molecules, clusters, and nanocrystals | |
Tuning electronic transport via hepta-alanine peptides junction by tryptophan doping. | |
Unusually Large Young’s Moduli of Amino Acid Molecular Crystals | |
Using optimally tuned range separated hybrid functionals in ground-state calculations: consequences and caveats | |
Valence and Conduction Band Densities of States of Metal Halide Perovskites: A Combined Experimental-Theoretical Study | |
Valence electronic structure of cobalt phthalocyanine from an optimally tuned range-separated hybrid functional. | |
Voltage tuning of vibrational mode energies in single-molecule junctions | |
What Remains Unexplained about the Properties of Halide Perovskites? |