Proceedings from the Seventh European Workshop on Quantum Systems in Chemistry and Physics: International Journal of Quantum Chemistry: Vol 99, No 6

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International Journal of Quantum Chemistry: Volume 99, Issue 6

Special Issue:Proceedings from the Seventh European Workshop on Quantum Systems in Chemistry and Physics

Preface: Proceedings of the Seventh European Workshop on Quantum Systems in Chemistry and Physics

List of participants

Theoretical and Computational Developments

Löwdin's canonical orthogonalization: Getting round the restriction of linear independence

Cooperative laser-electron-nuclear processes: QED calculation of electron satellites spectra for multi-charged ion in laser field

Determination of an improved set of harmonic force constants for benzene

Theoretical and Computational Developments

Distributed Gaussian basis sets: Variationally optimized s-type sets for the open-shell systems HeH and BeH ^†

Size extensivity of a general-model-space state-universal coupled-cluster method

Alternatives to multireference methods for the molecular electronic structure problem ^†

Properties, Dynamics, and Electronic Structure of Atoms and Molecules

DC strong field stark effect for nonhydrogenic atoms: Consistent quantum mechanical approach

Relativistic and electron correlation effects for molecules of heavy elements: Ab initio fully relativistic coupled-cluster calculations for PbH₄

The Dirac equation in the algebraic approximation. IX. Matrix Dirac–Hartree–Fock calculations for the HeH and BeH ground states using distributed Gaussian basis sets ^†

Nature of O₂, CO, and CN binding to hemoprotein models

Theoretical Biochemistry and Biophysics

Protein effects on the O₂ binding to the active site of the methane monooxygenase: ONIOM studies ^†

Erratum

Erratum: Nature of O₂, CO, and CN binding to hemoprotein models

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International Journal of Quantum Chemistry

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International Journal of Quantum Chemistry: Volume 99, Issue 6

Special Issue:Proceedings from the Seventh European Workshop on Quantum Systems in Chemistry and Physics

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Preface: Proceedings of the Seventh European Workshop on Quantum Systems in Chemistry and Physics

List of participants

Theoretical and Computational Developments

Löwdin's canonical orthogonalization: Getting round the restriction of linear independence

Cooperative laser-electron-nuclear processes: QED calculation of electron satellites spectra for multi-charged ion in laser field

Determination of an improved set of harmonic force constants for benzene

Theoretical and Computational Developments

Distributed Gaussian basis sets: Variationally optimized s-type sets for the open-shell systems HeH and BeH†

Size extensivity of a general-model-space state-universal coupled-cluster method

Alternatives to multireference methods for the molecular electronic structure problem†

Properties, Dynamics, and Electronic Structure of Atoms and Molecules

DC strong field stark effect for nonhydrogenic atoms: Consistent quantum mechanical approach

Relativistic and electron correlation effects for molecules of heavy elements: Ab initio fully relativistic coupled-cluster calculations for PbH4

The Dirac equation in the algebraic approximation. IX. Matrix Dirac–Hartree–Fock calculations for the HeH and BeH ground states using distributed Gaussian basis sets†

Nature of O2, CO, and CN binding to hemoprotein models

Theoretical Biochemistry and Biophysics

Protein effects on the O2 binding to the active site of the methane monooxygenase: ONIOM studies†

Erratum

Erratum: Nature of O2, CO, and CN binding to hemoprotein models

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More from this journal

Distributed Gaussian basis sets: Variationally optimized s-type sets for the open-shell systems HeH and BeH ^†

Alternatives to multireference methods for the molecular electronic structure problem ^†

Relativistic and electron correlation effects for molecules of heavy elements: Ab initio fully relativistic coupled-cluster calculations for PbH₄

The Dirac equation in the algebraic approximation. IX. Matrix Dirac–Hartree–Fock calculations for the HeH and BeH ground states using distributed Gaussian basis sets ^†

Nature of O₂, CO, and CN binding to hemoprotein models

Protein effects on the O₂ binding to the active site of the methane monooxygenase: ONIOM studies ^†

Erratum: Nature of O₂, CO, and CN binding to hemoprotein models