International Journal of Quantum Chemistry: Vol 58, No 2

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International Journal of Quantum Chemistry: Volume 58, Issue 2

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Preface

Preface

Theoretical and Computational Developments

Accurate density functional calculations on large systems

Application of localized molecular orbitals to the solution of semiempirical self-consistent field equations

On the use of common effective core potentials in density functional calculations. I. Test calculations on transition-metal carbonyls

Hybrid classical quantum force field for modeling very large molecules

Ground-state multiplicities and d—d excitations of transition-metal complexes by effective Hamiltonian method

On some ways of modifying semiempirical quantum chemical methods

Calculations of molecules, clusters, and solids with a simplified LCAO-DFT-LDA scheme

Properties, Dynamics, and Electronic Structure of Atoms and Molecules

Nonempirical wave functions for very large molecules. I. The PRDDO/M method

Relativity and the chemistry of UF₆: A molecular Dirac—Hartree—Fock—CI study

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International Journal of Quantum Chemistry

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International Journal of Quantum Chemistry: Volume 58, Issue 2

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Masthead

Masthead

Preface

Preface

Theoretical and Computational Developments

Accurate density functional calculations on large systems

Application of localized molecular orbitals to the solution of semiempirical self-consistent field equations

On the use of common effective core potentials in density functional calculations. I. Test calculations on transition-metal carbonyls

Hybrid classical quantum force field for modeling very large molecules

Ground-state multiplicities and d—d excitations of transition-metal complexes by effective Hamiltonian method

On some ways of modifying semiempirical quantum chemical methods

Calculations of molecules, clusters, and solids with a simplified LCAO-DFT-LDA scheme

Properties, Dynamics, and Electronic Structure of Atoms and Molecules

Nonempirical wave functions for very large molecules. I. The PRDDO/M method

Relativity and the chemistry of UF6: A molecular Dirac—Hartree—Fock—CI study

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Relativity and the chemistry of UF₆: A molecular Dirac—Hartree—Fock—CI study