First Principles Approach to Spin-Hamiltonian Parameters

Neese, Frank

doi:10.1002/9783527633531.ch6

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First Principles Approach to Spin-Hamiltonian Parameters

Neese, F. (2011). First Principles Approach to Spin-Hamiltonian Parameters. In S. K. Misra (Ed.), Multifrequency Electron Paramagnetic Resonance: Theory and Applications (pp. 295-326). Weinheim: Wiley-VCH Verlag GmbH.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0007-FF8E-B Version Permalink: https://hdl.handle.net/21.11116/0000-0007-FF8F-A

Genre: Book Chapter

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Creators:
Neese, Frank¹, Author

Affiliations:
1Lehrstuhl für Theoretische Chemie, Institut für Physikalische und Theoretische Chemie, Universität Bonn, Wegelerstrasse 12, D-53115 Bonn, Germany, ou_persistent22

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Free keywords: Quantum chemistry; density functional theory; linear response theory; relativistic corrections; spin Hamiltonian

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Language(s): eng - English

Dates: Date issued: 2011

Publication Status: Issued

Pages: 32

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Table of Contents: -

Rev. Type: Peer

Identifiers: DOI: 10.1002/9783527633531.ch6

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Title: Multifrequency Electron Paramagnetic Resonance: Theory and Applications

Source Genre: Book

Creator(s):
Misra, Sushil K.¹, Editor

Affiliations:
1 Concordia University, Physics Department, 1455 de Maisonneuve Blvd. West, Montreal, QC H3G 1M8, Canada, ou_persistent22

Publ. Info: Weinheim : Wiley-VCH Verlag GmbH

Pages: - Volume / Issue: - Sequence Number: - Start / End Page: 295 - 326 Identifier: ISBN: 9783527407798