Erscheinungsjahr
Medientyp
Fach
Format
Lizenz
Sprache
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Iterative blip-summed path integral for quantum dynamics in strongly dissipative environments
American Institute of Physics | 2017| -
Parameter-free driven Liouville-von Neumann approach for time-dependent electronic transport simulations in open quantum systems
American Institute of Physics | 2017| -
A combined DFT and restricted open-shell configuration interaction method including spin-orbit coupling: Application to transition metal L-edge X-ray absorption spectroscopy
NationallizenzAmerican Institute of Physics | 2013| -
Thermodynamics of two-dimensional Yukawa systems across coupling regimes
American Institute of Physics | 2017| -
Strong correlation in incremental full configuration interaction
American Institute of Physics | 2017| -
Theory of transport in dilute solutions, suspensions, and pure fluids. I. Translational diffusion
NationallizenzAmerican Institute of Physics | 1984| -
Microscopic theory of singlet exciton fission. I. General formulation
NationallizenzAmerican Institute of Physics | 2013| -
The nature of hydrogen bonding in the NN–HF, OC–HF, and HCN–HF complexes
NationallizenzAmerican Institute of Physics | 1983| -
Infrared diode laser spectroscopy of the CF3 ν3 band
NationallizenzAmerican Institute of Physics | 1983| -
Time development of geometric phases in the Longuet‐Higgins model
NationallizenzAmerican Institute of Physics | 1989| -
Systematic optimization of long-range corrected hybrid density functionals
NationallizenzAmerican Institute of Physics | 2008| -
Configuration path integral Monte Carlo approach to the static density response of the warm dense electron gas
American Institute of Physics | 2017| -
Irreversible random and cooperative processes on lattices: Exact and approximate hierarchy truncation and solution
NationallizenzAmerican Institute of Physics | 1983| -
Photoelectron studies of resonant multiphoton ionization of CO via the A 1Π state
NationallizenzAmerican Institute of Physics | 1983 -
Free energy barrier in the growth of sulfuric acid–ammonia and sulfuric acid–dimethylamine clusters
NationallizenzAmerican Institute of Physics | 2013| -
Communication: Density functional theory embedding with the orthogonality constrained basis set expansion procedure
Freier ZugriffAmerican Institute of Physics | 2017| -
Reduced-cost linear-response CC2 method based on natural orbitals and natural auxiliary functions
American Institute of Physics | 2017| -
Potential of mean force for insertion of antimicrobial peptide melittin into a pore in mixed DOPC/DOPG lipid bilayer by molecular dynamics simulation
American Institute of Physics | 2017| -
An efficient implementation of two-component relativistic exact-decoupling methods for large molecules
NationallizenzAmerican Institute of Physics | 2013| -
Revealing the role of thiocyanate anion in layered hybrid halide perovskite (CH3NH3)2Pb(SCN)2I2
American Institute of Physics | 2017| -
Intermediate state dependence of the photoelectron circular dichroism of fenchone observed via femtosecond resonance-enhanced multi-photon ionization
American Institute of Physics | 2017| -
Improved method for generating exchange-correlation potentials from electronic wave functions
American Institute of Physics | 2017| -
Propensity rules in rotationally inelastic collisions of diatomic molecules in 3Σ electronic states
NationallizenzAmerican Institute of Physics | 1983| -
Band gaps from the Tran-Blaha modified Becke-Johnson approach: A systematic investigation
NationallizenzAmerican Institute of Physics | 2013| -
Variational principle for the Kirkwood theory for the dynamics of polymer solutions and suspensions
NationallizenzAmerican Institute of Physics | 1983| -
A general intermolecular force field based on tight-binding quantum chemical calculations
American Institute of Physics | 2017| -
Quantum interference phenomena in the radiative decay of the C˜(1B2) state of SO2
NationallizenzAmerican Institute of Physics | 1983| -
Size-dependent bandgap and particle size distribution of colloidal semiconductor nanocrystals
American Institute of Physics | 2017| -
Neural network based coupled diabatic potential energy surfaces for reactive scattering
American Institute of Physics | 2017| -
Simplified CCSD(T)-F12 methods: Theory and benchmarks
NationallizenzAmerican Institute of Physics | 2009| -
First-principles structural design of superhard materials
NationallizenzAmerican Institute of Physics | 2013| -
Metadynamic metainference: Convergence towards force field independent structural ensembles of a disordered peptide
American Institute of Physics | 2017| -
Finite slice analysis (FINA)—A general reconstruction method for velocity mapped and time-sliced ion imaging
American Institute of Physics | 2017| -
The photodissociation cage effect in van der Waals complexes: Fluorescence spectra of I2 B(3Π0+u) from the hindered photodissociation of I2Ar at 488 nm
NationallizenzAmerican Institute of Physics | 1982| -
Lubricant shear thinning behavior correlated with variation of radius of gyration via molecular dynamics simulations
American Institute of Physics | 2017| -
Mass density fluctuations in quantum and classical descriptions of liquid water
American Institute of Physics | 2017| -
Solvation energies of the proton in ammonia explicitly versus temperature
American Institute of Physics | 2017| -
Variationally exact rovibrational spectra of nonrigid triatomics: The HeHF van der Waals molecule
NationallizenzAmerican Institute of Physics | 1983|
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