Frozen-density embedding as a quasi-diabatization tool: Charge-localized states for spin-density calculations-Reference-Cited by-同舟云学术

Frozen-density embedding as a quasi-diabatization tool: Charge-localized states for spin-density calculations

Published:2018-06-07 Issue:21 Volume:148 Page:214104
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Artiukhin Denis G.¹,Neugebauer Johannes¹^ORCID

Affiliation:

1. Theoretische Organische Chemie, Organisch-Chemisches Institut and Center for Multiscale Theory and Simulation, Westfälische Wilhelms-Universität Münster, Corrensstraße 40, 48149 Münster, Germany

Funder

Deutsche Forschungsgemeinschaft

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5023290

Reference95 articles.

1. Maximum Entropy Reconstruction of Spin Density Maps in Crystals from Polarized Neutron Diffraction Data

2. Spin density in a nitronyl nitroxide free radical. Polarized neutron diffraction investigation and ab initio calculations

3. Spin-Density Maps for an Oxamido-Bridged Mn(II)Cu(II) Binuclear Compound. Polarized Neutron Diffraction and Theoretical Studies

4. Experimental and Theoretical Spin Density in a Ferromagnetic Molecular Complex Presenting Interheteromolecular Hydrogen Bonds

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