Quantitative prediction and interpretation of spin energy gaps in polyradicals: the virtual magnetic balance.

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Quantitative prediction and interpretation of spin energy gaps in polyradicals: the virtual magnetic balance.

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2017 nî lūn-bûn

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Quantitative prediction and in ...... the virtual magnetic balance.

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Quantitative prediction and in ...... the virtual magnetic balance.

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Quantitative prediction and in ...... the virtual magnetic balance.

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Quantitative prediction and in ...... the virtual magnetic balance.

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Quantitative prediction and in ...... the virtual magnetic balance.

@en

Quantitative prediction and in ...... the virtual magnetic balance.

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P1476

Quantitative prediction and in ...... : the virtual magnetic balance

@en

P2093

Alessandro Ferretti

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P2860

Equation-of-motion coupled-cluster methods for open-shell and electronically excited species: the Hitchhiker's guide to Fock space.

Playing with organic radicals as building blocks for functional molecular materials.

Accurate yet feasible post-Hartree-Fock computation of magnetic interactions in large biradicals through a combined variational/perturbative approach: Setup and validation.

Structure-Properties Relationships in Triplet Ground State Organic Diradicals: A Computational Study.

Conformational Effects on the Magnetic Properties of an Organic Diradical: A Computational Study.

Magnetic interactions in molecules and highly correlated materials: physical content, analytical derivation, and rigorous extraction of magnetic Hamiltonians.

High-spin S = 2 ground state aminyl tetraradicals.

A Quasidegenerate Second-Order Perturbation Theory Approximation to RAS-nSF for Excited States and Strong Correlations.

Magnetic coupling in bis-nitronylnitroxide radicals: The role of aromatic bridges.

Computational Quantum Chemistry for Multiple-Site Heisenberg Spin Couplings Made Simple: Still Only One Spin-Flip Required.

P304

9039-9044

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P31

scholarly article

P356

10.1039/C7CP00186J

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P407

English

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http://www.w3.org/2001/XMLSchema#string

P478

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P50

Vincenzo Barone

Giacomo Prampolini

Ivo Cacelli

P577

2017-03-01T00:00:00Z

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P698

28304042

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