The performance of nonhybrid density functionals for calculating the structures and spin states of Fe(II) and Fe(III) complexes

RJ Deeth, N Fey

Research output: Contribution to journal › Article (Academic Journal) › peer-review

86 Citations (Scopus)

Translated title of the contribution	The performance of nonhybrid density functionals for calculating the structures and spin states of Fe(II) and Fe(III) complexes
Original language	English
Pages (from-to)	1840 - 1848
Number of pages	9
Journal	Journal of Computational Chemistry
Volume	25 (15)
DOIs	https://doi.org/10.1002/jcc.20101
Publication status	Published - Nov 2004

Publisher: Wiley Periodicals Inc
Other identifier: IDS Number 864XK

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title = "The performance of nonhybrid density functionals for calculating the structures and spin states of Fe(II) and Fe(III) complexes",

author = "RJ Deeth and N Fey",

note = "Publisher: Wiley Periodicals Inc Other identifier: IDS Number 864XK",

year = "2004",

month = nov,

doi = "10.1002/jcc.20101",

language = "English",

volume = "25 (15)",

pages = "1840 -- 1848",

journal = "Journal of Computational Chemistry",

issn = "1096-987X",

publisher = "Wiley",

}

TY - JOUR

T1 - The performance of nonhybrid density functionals for calculating the structures and spin states of Fe(II) and Fe(III) complexes

AU - Deeth, RJ

AU - Fey, N

N1 - Publisher: Wiley Periodicals Inc Other identifier: IDS Number 864XK

PY - 2004/11

Y1 - 2004/11

U2 - 10.1002/jcc.20101

DO - 10.1002/jcc.20101

M3 - Article (Academic Journal)

SN - 1096-987X

VL - 25 (15)

SP - 1840

EP - 1848

JO - Journal of Computational Chemistry

JF - Journal of Computational Chemistry

ER -