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Synonyms were used for: Atomphysik
Search without synonyms: keywords:(Atomphysik)
Used synonyms:
- atomforschung
- atomic physics
- atoms
-
SCF Dirac-Hartree-Fock calculations in the periodic system
National licenceII. Binding energies and first ionization potentials for s, p, and d elements from Z=1 to Z=120Springer Verlag | 1973|Keywords: Ionization potentials of atoms -
CNDO/2 (complete neglect of differential overlap)-method for third-row molecules
National licenceSpringer Verlag | 1973|Keywords: CNDO/2-method for third-row atoms -
Inorganic analogues of cyclic organic molecules
National licenceSpringer Verlag | 1974|Keywords: Inorganic ring systems with equal atoms -
Accuracy and limitations of the pseudopotential method
National licenceSpringer Verlag | 1974|Keywords: Atoms, SCF-calculations of ∼ -
Accuracy and limitations of the pseudopotential method
National licenceSpringer Verlag | 1974|Keywords: Atoms, SCF-calculations of ∼ -
Les orbitales de Slater à nombre quantique ≪n≫ non-entier
National licenceI. Intégrales mono-centriques, application aux atomesSpringer Verlag | 1974|Keywords: Atoms, calculation with non-integral-n -
Scaling in the S and P states of the helium isoelectronic sequence
National licenceSpringer Verlag | 1974|Keywords: Mean values of r 1 r and r 12 r in two-electron atoms -
Properties of atoms in molecules
National licenceVI. Atomic charges computed for some semi-empirical wave functionsSpringer Verlag | 1975|Keywords: Atoms in molecules -
A misconception concerning the electronic density distribution of an atom
National licenceSpringer Verlag | 1975|Keywords: Electron density distribution in atoms -
Application of the independent electron pair approach to the calculation of excitation energies, ionization potentials, and electron affinities of first row atoms
National licenceSpringer Verlag | 1975|Keywords: First row atoms, excitation energies of ∼ -
Bonded-atom fragments for describing molecular charge densities
National licenceSpringer Verlag | 1977|Keywords: Bonded atoms -
Orthonormality-constrained orbital optimisations in MC-SCF theory
Springer Verlag | 1978|Keywords: Atoms and molecules -
A study on universal Gaussian basis sets for first-row atoms
National licenceSpringer Verlag | 1979|Keywords: Universal Gaussian basis sets for first-row atoms, First-row atoms -
Approximate relativistic Hartree-Fock equations and their solution within a minimum basis set of slater-type functions
National licenceSpringer Verlag | 1979|Keywords: Closed-shell atoms -
Approximate relativistic Hartree-Fock equations and their solution within a minimum basis set of slater-type functions
National licenceSpringer Verlag | 1979|Keywords: Closed-shell atoms -
A simulation of the exchange potential in unrestricted and restricted Hartree-Fock calculations studied on atoms
National licenceSpringer Verlag | 1979|Keywords: Hartree-Fock exchange, simulation of ∼ in atoms -
Atoms-in-molecules theory: Non-Hermitian formulation
National licenceSpringer Verlag | 1979|Keywords: Atoms-in-molecules theory, non-Hermitian formulation of ∼ -
Orbital electronegativity and electron affinity of rare earth atoms using Xα-theory
National licenceSpringer Verlag | 1980|Keywords: Rare earth atoms, Electronegativity, Ionization potential -
Isoelectronic changes in total Hartree-Fock energy of atoms
National licenceSpringer Verlag | 1980|Keywords: Hartree-Fock energy of atoms -
Substituent effect on ionisation potential in a series of related molecules: A theoretical study in a molecular orbital framework
Springer Verlag | 1981|Keywords: halogen atoms -
Effects of alkyl chain length on surface and micellar properties of octaethyleneglycol-n alkyl ethers
National licenceSpringer Verlag | 1981|Keywords: Nonionic surfactants with even and odd carton atoms -
Distance-constraint approach to protein folding. II. Prediction of three-dimensional structure of bovine pancreatic trypsin inhibitor
National licenceSpringer Verlag | 1982|Keywords: interaction between sulfur atoms and aromatic side chains -
On the relation between the formal atomic charges and total molecular energies
National licenceSpringer Verlag | 1983|Keywords: Charges of atoms in molecules -
Approximate electric potentials
National licenceSpringer Verlag | 1983|Keywords: Electric potentials in atoms -
Valency. II. Applications to molecules with first-row atoms
National licenceSpringer Verlag | 1983|Keywords: Valency of first-row atoms -
Valency. II. Applications to molecules with first-row atoms
National licenceSpringer Verlag | 1983|Keywords: Valency of first-row atoms -
“Universal” CNDO/2 method (CNDO/2-U)
National licenceSpringer Verlag | 1983|Keywords: “Fictitious atoms” -
A density-functional calculation of dynamic dipole polarizabilities of noble gas atoms
National licenceSpringer Verlag | 1983|Keywords: Noble gas atoms -
A variational method to calculate static electronic properties
National licenceSpringer Verlag | 1984|Keywords: atoms and molecules -
Use of a unitary wavefunction in the calculation of static electronic properties
National licenceSpringer Verlag | 1984|Keywords: atoms and molecules -
Reactions of Transition Metal Atoms with 2-Nitropropane
Springer Verlag | 1984|Keywords: Transition metal atoms, reactions with 2-nitropropane, 2-nitropropane, reactions with transition metal atoms -
Reactions of Iron Atoms and Iron Dimers with Methane, Ammonia, and Hydrogen Fluoride in Low Temperature Matrices
Springer Verlag | 1984|Keywords: Iron atoms and dimers, reactions in low temperature matrices -
Study of approximate coupled cluster methods for first-order static properties
National licenceSpringer Verlag | 1985|Keywords: Atoms and molecules -
The virial theorem as an entail for Koopmans' theorem in atomic calculations
National licenceSpringer Verlag | 1985|Keywords: atoms -
Chemical binding and electron correlation in diatomic molecules as described by the FORS model and the FORS-IACC model
National licenceSpringer Verlag | 1985|Keywords: Atoms in molecules -
Extension of a simplified method for molecular correlation energy calculations to molecules containing third row atoms. I. Methodological developments
National licenceSpringer Verlag | 1985|Keywords: third row atoms -
From solvated electrons to metal anions: Electronic structure and dynamics
National licenceSpringer Verlag | 1985|Keywords: solvated atoms -
An application of correlation energy density functionals to atoms and molecules
National licenceSpringer Verlag | 1986|Keywords: First-row atoms -
Directed walk models of polymer conformations
National licenceSpringer Verlag | 1989|Keywords: Atoms, Molecules, Clusters and Plasmas -
Introduction
National licenceSpringer Verlag | 1989|Keywords: Atoms, Molecules, Clusters and Plasmas -
Line interfaces in two dimensions: Solid-on-solid models
National licenceSpringer Verlag | 1989|Keywords: Atoms, Molecules, Clusters and Plasmas -
Polymers at surfaces
National licenceSpringer Verlag | 1989|Keywords: Atoms, Molecules, Clusters and Plasmas -
Models of stacks and compact clusters
National licenceSpringer Verlag | 1989|Keywords: Atoms, Molecules, Clusters and Plasmas -
Gaussian basis sets for calculation of spin densities in first-row atoms
National licenceSpringer Verlag | 1989|Keywords: First row atoms -
Charge and radial correlations in helium and helium-like atoms
National licenceSpringer Verlag | 1990|Keywords: Helium and helium-like atoms -
Isoelectronic changes in energy of quark atoms and molecules via the Levy equation
National licenceSpringer Verlag | 1990|Keywords: Quark atoms and molecules -
NMOSFET characteristics on a double hetero-epitaxial Si/γ-Al2O3/Si structure fabricated by a new MBE growth method
National licenceSpringer Verlag | 1990|Keywords: diffusion of autodoped atoms -
Structure and function at catalyst surfaces
National licenceSpringer Verlag | 1991|Keywords: probability distributions of atoms -
Approximate sizes of monoatomic negative ions with fractional nuclear charge using electrostatic potentials
National licenceSpringer Verlag | 1991|Keywords: Exotic atoms
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