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Nuclear magnetic resonance / Magnetic ordering / Condensed matter physics / Quantum chemistry / Theoretical chemistry / Paramagnetism / Exchange interaction / Magnetic anisotropy / J-coupling / Physics / Chemistry / Science


Document Date: 2013-08-21 21:14:42

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City

Lysenko / New York / /

Company

Hess / Hupp / 2Jab Sa / 2Jac Sa / ASSOCIATED CONTENT / /

Country

United States / /

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Facility

Supercomputing Institute / University of Minnesota / University of California / /

IndustryTerm

approach accounting / broken-spin-symmetry solutions / computed energy differences / open-site transition metal ions / energy spacings / metal−organic frameworks / transition metal ions / transition metal ion / excitation energy / transition metal complexes / metal ions / coordination networks / quantum chemical calculations / metal−organic framework / lowest-energy stable solution / energy differences / energy / metal / calculated energy levels / variational energy splittings / brokenspin-symmetry solutions / model energy / metal-based building blocks / chemical physics / energy splittings / vector operator / /

Movie

A. D. / /

Organization

Supercomputing Institute / U.S. Department of Energy / University of California / Berkeley / Division of Chemical Sciences / Geosciences / and Biosciences / University of Minnesota / Minneapolis / Department of Chemistry / Nanoporous Materials Genome Center / Chemical Theory Center / /

Person

C. Dalton Trans / Ion Magnetic Anisotropy / Ion Anisotropy / Jac Obtained / Donald G. Truhlar / Laura Gagliardi / Van Vleck / Ion Hamiltonian / Hudson / Javier Alonso / Harris / Joshua Borycz / † Je / Joseph M. Zadrozny / ‡ Sijie / /

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Position

Queen / Article AUTHOR INFORMATION Corresponding Author *E-mail / Harper / T. D. / Model for the Single-Ion Anisotropy Calculations / SPy / Model / Model for the Isotropic Coupling Calculations / /

Product

Cowon D2+ Portable Audio Device / /

ProgrammingLanguage

Pascal / E / DC / /

ProvinceOrState

Minnesota / Mississippi / California / A. B. / /

PublishedMedium

Inorganic Chemistry / /

URL

http /

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