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Hydrodynamic slip characteristics of shear-driven water flow in nanoscale carbon slits
American Institute of Physics | 2024| -
Development of a ReaxFF reactive force field for ternary phosphate-based bioactive glasses
Freier ZugriffAmerican Institute of Physics | 2024| -
Absorption and fluorescence spectroscopy of cold proflavine ions isolated in the gas phase
American Institute of Physics | 2024| -
Theory of 2D electronic spectroscopy of water soluble chlorophyll-binding protein (WSCP): Signatures of Chl b derivate
Freier ZugriffAmerican Institute of Physics | 2024| -
Publisher’s Note: “Surface tension of aqueous electrolyte solutions. A thermomechanical approach” [J. Chem. Phys. 160, 164701 (2024)]
Freier ZugriffAmerican Institute of Physics | 2024| -
Nonadiabatic dynamics of molecules interacting with metal surfaces: A quantum–classical approach based on Langevin dynamics and the hierarchical equations of motion
Freier ZugriffAmerican Institute of Physics | 2024| -
Non-adiabatic direct quantum dynamics using force fields: Toward solvation
Freier ZugriffAmerican Institute of Physics | 2024| -
A bivariational, stable, and convergent hierarchy for time-dependent coupled cluster with adaptive basis sets
American Institute of Physics | 2024| -
Beyond isotropic repulsion: Classical anisotropic repulsion by inclusion of p orbitals
American Institute of Physics | 2024| -
A model of heterogeneous undercooled liquid and glass accounting for temperature-dependent nonexponentiality and enthalpy fluctuation
American Institute of Physics | 2024| -
A MASH simulation of the photoexcited dynamics of cyclobutanone
Freier ZugriffAmerican Institute of Physics | 2024| -
Effects of carbon concentration on the local atomic structure of amorphous GST
American Institute of Physics | 2024| -
Switch the click: Ultrafast photochemistry of photoDIBO-OH tracked by time-resolved IR spectroscopy
Freier ZugriffAmerican Institute of Physics | 2024| -
Seamless integration of GEM, a density based-force field, for QM/MM simulations via LICHEM, Psi4, and Tinker-HP
American Institute of Physics | 2024| -
Fundamental equation of state for mixtures of nitrogen, oxygen, and argon based on molecular simulation data
American Institute of Physics | 2024| -
Three-phase equilibria of hydrates from computer simulation. II. Finite-size effects in the carbon dioxide hydrate
American Institute of Physics | 2024| -
Interfacial water on collagen nanoribbons by 3D AFM
Freier ZugriffAmerican Institute of Physics | 2024| -
A novel non-adiabatic spin relaxation mechanism in molecular qubits
American Institute of Physics | 2024| -
Cocatalyst activity mapping for photocatalytic materials revealed by the pattern-illumination time-resolved phase microscopy
American Institute of Physics | 2024| -
Solar energy broadband capturing by metamaterial absorber based on titanium metal
American Institute of Physics | 2024| -
Theoretical and practical investigation of ion–ion association in electrolyte solutions
American Institute of Physics | 2024| -
Thermodynamics of reversible hydrogen storage: Does alkoxy-substitution of naphthalene yield functional advantages for LOHC systems?
American Institute of Physics | 2024| -
Unlocking a new hydrogen-bonding marker: C–O bond shortening in vicinal diols revealed by rotational spectroscopy
American Institute of Physics | 2024| -
Confined and spontaneously transformed oxidation structures due to the intrinsic heterogeneous surface morphology of C3N monolayer
American Institute of Physics | 2024| -
Two-photon absorption cross sections of pulsed entangled beams
Freier ZugriffAmerican Institute of Physics | 2024| -
Dynamic of binary molecular systems—Advantages and limitations of NMR relaxometry
Freier ZugriffAmerican Institute of Physics | 2024| -
Thickness-dependent electronic relaxation dynamics in solution-phase redox-exfoliated MoS2 heterostructures
American Institute of Physics | 2024| -
Responses of assembled structures of block polyelectrolytes to electrostatic interaction strength
American Institute of Physics | 2024| -
Emulating biological synaptic characteristics of HfOx/AlN-based 3D vertical resistive memory for neuromorphic systems
American Institute of Physics | 2024| -
The surface chemistry of colloidal lead halide perovskite nanowires
American Institute of Physics | 2024| -
DL_POLY Quantum 2.0: A modular general-purpose software for advanced path integral simulations
American Institute of Physics | 2024| -
Diagonalizing the Born–Oppenheimer Hamiltonian via Moyal perturbation theory, nonadiabatic corrections, and translational degrees of freedom
American Institute of Physics | 2024| -
Pseudo-marginal approximation to the free energy in a micro–macro Markov chain Monte Carlo method
American Institute of Physics | 2024| -
Excitation energy transfer and vibronic relaxation through light-harvesting dendrimer building blocks: A nonadiabatic perspective
American Institute of Physics | 2024| -
Activation volume and quantum tunneling in the hydrogen transfer reaction between methyl radical and methane: A first computational study
Freier ZugriffAmerican Institute of Physics | 2024| -
Quantum tomography of molecules using ultrafast electron diffraction
American Institute of Physics | 2024| -
First-principles study of high-pressure structural phase transition and superconductivity of YBeH8
American Institute of Physics | 2024| -
Force matching and iterative Boltzmann inversion coarse grained force fields for ZIF-8
American Institute of Physics | 2024| -
Connecting microscopic and mesoscopic mechanics in model structural glasses
American Institute of Physics | 2024| -
Foreword to the Special Issue Chiral Induced Spin Selectivity
American Institute of Physics | 2024| -
Quantum-classical rate coefficient datasets of vibrational energy transfer in carbon monoxide based on highly accurate potential energy surface
American Institute of Physics | 2024| -
Highly efficient implementation of analytic nonadiabatic derivative couplings within the pseudospectral method
American Institute of Physics | 2024| -
Calculating high-pressure vibrational frequencies analytically with the extended hydrostatic compression force field approach
American Institute of Physics | 2024|
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