(Q58010155)

English

First-principles calculations of zero-field splitting parameters

article

In more languages

edit

Statements

instance of

scholarly article

0 references

title

First-principles calculations of zero-field splitting parameters (English)

0 references

Frank Neese

2

0 references

author name string

Dmitry Ganyushin

series ordinal

1

0 references

language of work or name

English

0 references

publication date

14 July 2006

0 references

published in

Journal of Chemical Physics

0 references

volume

125

0 references

issue

2

0 references

page(s)

024103

0 references

cites work

Spin-orbit coupling of DFT/MRCI wavefunctions: method, test calculations, and application to thiophene

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.2213976

retrieved

21 January 2018

Molecular Electronic-Structure Theory

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.2213976

retrieved

21 January 2018

Calculation of Zero-Field Splittings, g-Values, and the Relativistic Nephelauxetic Effect in Transition Metal Complexes. Application to High-Spin Ferric Complexes

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.2213976

retrieved

21 January 2018

A spectroscopy oriented configuration interaction procedure

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.2213976

retrieved

21 January 2018

Toward identification of the compound I reactive intermediate in cytochrome P450 chemistry: a QM/MM study of its EPR and Mössbauer parameters

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.2213976

retrieved

21 January 2018

Identifiers

DOI

10.1063/1.2213976

0 references

PubMed publication ID

16848573

0 references

(Q58010155)

First-principles calculations of zero-field splitting parameters

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)