International Journal of Quantum Chemistry: Vol 52, No 2

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International Journal of Quantum Chemistry: Volume 52, Issue 2

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A density functional elongation method for the theoretical synthesis of aperiodic polymers

Character of the electronic ground state and of charge-transfer excited states in ionic solids: An ab initio cluster model approach

Quantum chemical calculation of nickel and copper atomic valencies in crystalline oxides

Some remarks concerning spherulitic growth ^†

Calculations of the electronic structure of various aperiodic polymers by an elongation method

Effective crystal field approach to the binding energy calculation of alkaline metals

Alternating charge densities, peierls distortion, and charge-conjugation symmetry in correlated one-dimensional diatomic systems

Simulation of diffusion-limited aggregation and reactions over its surfaces

Recent developments in the theoretical design of low-gap polymers and their nonlinear optical properties

Electronic structure and properties of hexagonal wurtzite-type SiC

Disordered grown systems: Generation and fractal analysis. Electrodeposition ^†

Cooperativity and electron correlation effects on hydrogen bonding in infinite systems

Electron correlations and pairing in low-dimensional systems

Statistical mechanical theory of liquid entropy

Molecular dynamics simulations of n-Alkane melts confined between solid surfaces

The character of the correlations in DNA sequences

Density functional studies on hydrogen-bonded complexes

Evaluation of electronic matrix elements of long-range electron transfer in proteins by the recursive residue generation method

Theory of hopping conductivity of proteins

Continuum wave functions by least-squares scheme in a B-spline basis: Multicenter and multielectron formulations

The onset of classical chaos in atom–surface scattering

Theoretical study of many-body effects in the photoelectron spectra of unsaturated hydrocarbons

Calculation of excitation and photoionization spectra by quasi-degenerate perturbation theory

The interaction of chemical bonds. III. Perturbed strictly localized geminals in LMO basis

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International Journal of Quantum Chemistry

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International Journal of Quantum Chemistry: Volume 52, Issue 2

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Masthead

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Articles

A density functional elongation method for the theoretical synthesis of aperiodic polymers

Character of the electronic ground state and of charge-transfer excited states in ionic solids: An ab initio cluster model approach

Quantum chemical calculation of nickel and copper atomic valencies in crystalline oxides

Some remarks concerning spherulitic growth†

Calculations of the electronic structure of various aperiodic polymers by an elongation method

Effective crystal field approach to the binding energy calculation of alkaline metals

Alternating charge densities, peierls distortion, and charge-conjugation symmetry in correlated one-dimensional diatomic systems

Simulation of diffusion-limited aggregation and reactions over its surfaces

Recent developments in the theoretical design of low-gap polymers and their nonlinear optical properties

Electronic structure and properties of hexagonal wurtzite-type SiC

Disordered grown systems: Generation and fractal analysis. Electrodeposition†

Cooperativity and electron correlation effects on hydrogen bonding in infinite systems

Electron correlations and pairing in low-dimensional systems

Statistical mechanical theory of liquid entropy

Molecular dynamics simulations of n-Alkane melts confined between solid surfaces

The character of the correlations in DNA sequences

Density functional studies on hydrogen-bonded complexes

Evaluation of electronic matrix elements of long-range electron transfer in proteins by the recursive residue generation method

Theory of hopping conductivity of proteins

Continuum wave functions by least-squares scheme in a B-spline basis: Multicenter and multielectron formulations

The onset of classical chaos in atom–surface scattering

Theoretical study of many-body effects in the photoelectron spectra of unsaturated hydrocarbons

Calculation of excitation and photoionization spectra by quasi-degenerate perturbation theory

The interaction of chemical bonds. III. Perturbed strictly localized geminals in LMO basis

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Some remarks concerning spherulitic growth ^†

Disordered grown systems: Generation and fractal analysis. Electrodeposition ^†