International Journal of Quantum Chemistry: Vol 19, No 5

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International Journal of Quantum Chemistry: Volume 19, Issue 5

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The fermi surface of beryllium

Optical oscillator strengths for isoelectronic ions of nitrogen

A scaled “one-electron Hamiltonian” model for open-shell LCAO–MO–SCF calculations

Exact solutions for interacting finite potential wells

Nodeless wave functions and spiky potentials

Coupled perturbation theory within the antisymmetrized product of separated geminals (APSG) framework

Structures, stabilities, and energies of isomerization of some alkyl cyanides and isocyanides and their corresponding α-cyanocarbonium and α-isocyanocarbonium ions

Bond–antibond analysis of internal rotation barriers in glyoxal and related molecules: Where INDO fails

Unitary transformations with the unitary operators depending on projection operators

Thermal dissociation of 1,2-dioxethane. I. Charge density distribution along the reaction path and in different HF solutions

Thermal dissociation of 1,2-dioxethane. II. Quantum topology of the charge distributions

Thermal dissociation of 1,2-dioxethane. III. Localized molecular-orbital study

n-Local energies as accuracy measures on approximate wave functions

Dynamic nonlinear Jahn–Teller effect of the type E ⊗ ϵ

An einstein relativistic atomic and molecular model based on the Horwitz–Piron–Reuse theory

Use of iterative natural orbital method for calculating energy barrier to predissociation of the first excited states of NH₃ (3s^1,3 A″₂)

Ghost orbitals in semiempirical methods. Estimation of basis set superposition error

Multichannel quantization and the static stark effect ^†

Atomic calculations with an effective one-body potential ^†

Algebraic characterization of bridged polycyclic compounds

Theory of the potential of a donor ion in silicon

Letter to the Editor

Some comments about the effective utilization of off-diagonal hypervirial relations considering the diagonal hypervirial relation: Harmonic oscillator case

Book Review

Fartor analysis in chemistry. E. R. Malinowski and D. G. Howery. Wiley–Interscience, New York, 1980. 250 pp., Price: $26.25

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International Journal of Quantum Chemistry: Volume 19, Issue 5

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Masthead

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Articles

The fermi surface of beryllium

Optical oscillator strengths for isoelectronic ions of nitrogen

A scaled “one-electron Hamiltonian” model for open-shell LCAO–MO–SCF calculations

Exact solutions for interacting finite potential wells

Nodeless wave functions and spiky potentials

Coupled perturbation theory within the antisymmetrized product of separated geminals (APSG) framework

Structures, stabilities, and energies of isomerization of some alkyl cyanides and isocyanides and their corresponding α-cyanocarbonium and α-isocyanocarbonium ions

Bond–antibond analysis of internal rotation barriers in glyoxal and related molecules: Where INDO fails

Unitary transformations with the unitary operators depending on projection operators

Thermal dissociation of 1,2-dioxethane. I. Charge density distribution along the reaction path and in different HF solutions

Thermal dissociation of 1,2-dioxethane. II. Quantum topology of the charge distributions

Thermal dissociation of 1,2-dioxethane. III. Localized molecular-orbital study

n-Local energies as accuracy measures on approximate wave functions

Dynamic nonlinear Jahn–Teller effect of the type E ⊗ ϵ

An einstein relativistic atomic and molecular model based on the Horwitz–Piron–Reuse theory

Use of iterative natural orbital method for calculating energy barrier to predissociation of the first excited states of NH3 (3s1,3 A″2)

Ghost orbitals in semiempirical methods. Estimation of basis set superposition error

Multichannel quantization and the static stark effect†

Atomic calculations with an effective one-body potential†

Algebraic characterization of bridged polycyclic compounds

Theory of the potential of a donor ion in silicon

Letter to the Editor

Some comments about the effective utilization of off-diagonal hypervirial relations considering the diagonal hypervirial relation: Harmonic oscillator case

Book Review

Fartor analysis in chemistry. E. R. Malinowski and D. G. Howery. Wiley–Interscience, New York, 1980. 250 pp., Price: $26.25

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Use of iterative natural orbital method for calculating energy barrier to predissociation of the first excited states of NH₃ (3s^1,3 A″₂)

Multichannel quantization and the static stark effect ^†

Atomic calculations with an effective one-body potential ^†