Black-box determination of temperature-dependent susceptibilities for crystalline organic radicals with complex magnetic topologies-Reference-Cited by-同舟云学术

Black-box determination of temperature-dependent susceptibilities for crystalline organic radicals with complex magnetic topologies

Published:2016 Issue:40 Volume:18 Page:28262-28273
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Dresselhaus Thomas¹²³⁴⁵,Eusterwiemann Steffen¹²³⁴,Matuschek David R.¹²³⁴,Daniliuc Constantin G.¹²³⁴,Janka Oliver⁶²³⁴,Pöttgen Rainer⁶²³⁴,Studer Armido¹²³⁴,Neugebauer Johannes¹²³⁴⁵

Affiliation:

1. Organisch-Chemisches Institut

2. Westfälische Wilhelms-Universität Münster

3. 48149 Münster

4. Germany

5. Center for Multiscale Theory and Computation

6. Institut für Anorganische und Analytische Chemie

Abstract

A reliable procedure for the prediction of magnetic susceptibilities starting directly from a crystal structure is presented alongside with an application to verdazyl radicals.

Funder

Deutsche Forschungsgemeinschaft

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP05875B

Reference46 articles.

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3. Magnetic Properties of Organic Molecular Crystals via an Algebraic Heisenberg Hamiltonian. Applications to WILVIW, TOLKEK, and KAXHAS Nitronyl Nitroxide Crystals