International Journal of Quantum Chemistry: Vol 59, No 2

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International Journal of Quantum Chemistry: Volume 59, Issue 2

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Properties, Dynamics, and Electronic Structure of Atoms and Molecules

Calculation of the coefficients of the characteristic polynomial from its subgraphs

High-order multipolar hyperpolarizabilities with imaginary frequency for H and He

Applications of a local grid method for modeling chemical dynamics at a mean-field level

Revisiting the potential energy surface for [H₃N ··· HCl]: An ab initio and density functional theory investigation

Energetics of reactions involving radical species in solution: Calculation of relative electrode potentials for nitroimidazoles using density functional and continuum methods

Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters

Transport of excitation energy in a three-dimensional doped molecular crystal. IV. Fourth-order propagation, exciton clothing, and exciton diffusion

Molecular Structure, Dynamics, and Function of Biological Systems

A theoretical analysis of the structure and electronic properties of 2-nitrophenylcyanate and 2-nitrophenylthiocyanate

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International Journal of Quantum Chemistry

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International Journal of Quantum Chemistry: Volume 59, Issue 2

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Masthead

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Properties, Dynamics, and Electronic Structure of Atoms and Molecules

Calculation of the coefficients of the characteristic polynomial from its subgraphs

High-order multipolar hyperpolarizabilities with imaginary frequency for H and He

Applications of a local grid method for modeling chemical dynamics at a mean-field level

Revisiting the potential energy surface for [H3N ··· HCl]: An ab initio and density functional theory investigation

Energetics of reactions involving radical species in solution: Calculation of relative electrode potentials for nitroimidazoles using density functional and continuum methods

Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters

Transport of excitation energy in a three-dimensional doped molecular crystal. IV. Fourth-order propagation, exciton clothing, and exciton diffusion

Molecular Structure, Dynamics, and Function of Biological Systems

A theoretical analysis of the structure and electronic properties of 2-nitrophenylcyanate and 2-nitrophenylthiocyanate

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Revisiting the potential energy surface for [H₃N ··· HCl]: An ab initio and density functional theory investigation