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Synonyms were used for: Molekülphysik
Search without synonyms: keywords:(Molekülphysik)
Used synonyms:
- molecular physics
- molecules
- molekularphysik
-
Rolling a single molecular wheel at the atomic scale
Tema Archive | 2007|Keywords: Molekularphysik -
Molecular simulation of shale gas adsorption onto overmature type II model kerogen with control microporosity
Online Contents | 2016|Keywords: Molekülphysik -
Deep eutectic solvent formation: a structural view using molecular dynamics simulations with classical force fields
Online Contents | 2017|Keywords: Molekülphysik -
N-doped graphene as a nanostructure adsorbent for carbon monoxide: DFT calculations
Online Contents | 2016|Keywords: Molekülphysik -
Programs for the molecular dynamics simulation of liquids. I. Spherical molecules with short-ranged interactions
Tema Archive | 1980|Keywords: MOLEKULARPHYSIK -
SAFT-γ force field for the simulation of molecular fluids: 8. Hetero-segmented coarse-grained models of perfluoroalkylalkanes assessed with new vapour–liquid interfacial tension data
Online Contents | 2016|Keywords: Molekülphysik -
Convergence of single-step free energy perturbation
Online Contents | 2016|Keywords: Molekülphysik -
Performance of Bootstrap Embedding for long-range interactions and 2D systems
Online Contents | 2017|Keywords: Molekülphysik -
How well does the Lennard-Jones potential represent the thermodynamic properties of noble gases?
Online Contents | 2016|Keywords: Molekülphysik -
Recent progress in quantum chemistry of hetero[8]circulenes
Online Contents | 2017|Keywords: Molekülphysik -
Study on the electronic structure of Al12N12and Al12P12fullerene-like nano-clusters upon adsorption of CH3F and CH3Cl
Online Contents | 2016|Keywords: Molekülphysik -
Chalcogen bonds formed through π-holes: SO3complexes with nitrogen and phosphorus bases
Online Contents | 2016|Keywords: Molekülphysik -
Estimating the solubility of 1:1 electrolyte aqueous solutions: the chemical potential difference rule
Online Contents | 2017|Keywords: Molekülphysik -
DFT study of boron trichloride adsorption on the surface of Al12N12 nanocluster
Online Contents | 2017|Keywords: Molekülphysik -
Density functional theory study of the NO2-sensing mechanism on a WO3 (0 0 1) surface: the role of surface oxygen vacancies in the formation of NO and NO3
Online Contents | 2016|Keywords: Molekülphysik -
Density functional theory study of interaction of graphene with hypoxanthine, xanthine, and uric acid
Online Contents | 2016|Keywords: Molekülphysik -
Accurateab initiopotential energy curves and spectroscopic properties of the low-lying electronic states of OH−and SH−molecular anions
Online Contents | 2016|Keywords: Molekülphysik -
Challenging the Lieb–Oxford bound in a systematic way
Online Contents | 2016|Keywords: Molekülphysik -
Controlled synthesis and analysis of He–H+3in a 3.7 K ion trap
Online Contents | 2015|Keywords: Molekülphysik -
Storage of H2 in Clathrate Hydrates: Evaluation of Different Force-Fields used in Monte Carlo Simulations
Online Contents | 2017|Keywords: Molekülphysik -
On the convergence of zero-point vibrational corrections to nuclear shieldings and shielding anisotropies towards the complete basis set limit in water
Online Contents | 2016|Keywords: Molekülphysik -
DFT study of hydrogen storage in Pd-decorated C60fullerene
Online Contents | 2015|Keywords: Molekülphysik -
An ab initio study on competition between pnicogen and chalcogen bond interactions in binary XHS:PH2X complexes (X = F, Cl, CCH, COH, CH3, OH, OCH3 and NH2)
Online Contents | 2016|Keywords: Molekülphysik -
First high-resolution analysis of the ν1, ν3 and ν1 + ν3 bands of sulphur dioxide 33S16O2
Online Contents | 2017|Keywords: Molekülphysik -
Four-component relativistic density functional theory with the polarisable continuum model: application to EPR parameters and paramagnetic NMR shifts
Online Contents | 2016|Keywords: Molekülphysik -
An ab initio study on the nature of [sigma]-hole interactions in pnicogen-bonded complexes with carbene as an electron donor
Online Contents | 2016|Keywords: Molekülphysik -
Strengthening of the halogen-bonding by an aerogen bond interaction: substitution and cooperative effects in O3Z···NCX···NCY (Z = Ar, Kr, Xe; X = Cl, Br, I; Y = H, F, OH) complexes
Online Contents | 2016|Keywords: Molekülphysik -
Applications to metal K pre-edges of transition metal dimers illustrate the approximate origin independence for the intensities in the length representation
Online Contents | 2016|Keywords: Molekülphysik -
High-order harmonic generation in non-planar molecules driven by a bicircular field
Online Contents | 2016|Keywords: Molekülphysik -
Equation of state for 1,2-dichloroethane based on a hybrid data set
Online Contents | 2016|Keywords: Molekülphysik -
Effect of confinement in nano-porous materials on the solubility of a supercritical gas
Online Contents | 2016|Keywords: Molekülphysik -
Spin-correlated doublet pairs as intermediate states in charge separation processes
Online Contents | 2017|Keywords: Molekülphysik -
Activity coefficients of individual ions in LaCl3 from the II+IW theory
Online Contents | 2017|Keywords: Molekülphysik -
The strengthening effect of a hydrogen or lithium bond on the Z···N aerogen bond (Z = Ar, Kr and Xe): a comparative study
Online Contents | 2016|Keywords: Molekülphysik -
A theoretical study on the reaction mechanism and kinetics of allyl alcohol (CH2 = CHCH2OH) with ozone (O3) in the atmosphere
Online Contents | 2017|Keywords: Molekülphysik -
Uncertainty assessment of equations of state with application to an organic Rankine cycle
Online Contents | 2017|Keywords: Molekülphysik -
Strengthening of the halogen-bonding by an aerogen bond interaction: substitution and cooperative effects in O3Z···NCX···NCY (Z = Ar, Kr, Xe; X = Cl, Br, I; Y = H, F, OH) complexes
Online Contents | 2016|Keywords: Molekülphysik -
Molecular photophysics and spectroscopy
TIBKAT | 2021|Keywords: Atomic & molecular physics, Atomic and molecular physics -
Study of phase transformation and elastic properties of ThX (X = N, P, As and Sb) under high-pressure
Online Contents | 2016|Keywords: Molekülphysik -
Properties of cationic pnicogen-bonded complexes F4-nHnP+:N-base with H-P···N linear and n = 1-4
Online Contents | 2016|Keywords: Molekülphysik -
Visualisation and orbital-free parametrisation of the large-Z scaling of the kinetic energy density of atoms
Online Contents | 2016|Keywords: Molekülphysik -
New insights from domain-averaged Fermi holes and bond order analysis into the bonding conundrum in C2
Online Contents | 2015|Keywords: Molekülphysik -
Predicting the equilibrium solubility of solid polycyclic aromatic hydrocarbons and dibenzothiophene using a combination of MOSCED plus molecular simulation or electronic structure calculations
Online Contents | 2017|Keywords: Molekülphysik -
Studies on the σ–hole bonds (halogen, chalcogen, pnicogen and carbon bonds) based on the orientation of crystal structure
Online Contents | 2016|Keywords: Molekülphysik -
Potential energy curves of the Na2+ molecular ion from all-electron ab initio relativistic calculations
Online Contents | 2017|Keywords: Molekülphysik
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