DFT study of the intrinsic conformations of 2Fe-2S-4(SCH3) (2-) clusters and their influence on exchange coupling

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@article{dcc4937b0e3541febd0f96d10167a060,

title = "DFT study of the intrinsic conformations of 2Fe-2S-4(SCH3) (2-) clusters and their influence on exchange coupling",

keywords = "conformations, Two-iron ferredoxins, exchange coupling constants, density functional theory",

author = "Oliveira, {Filipe Alexandre Ferreira Tiago de}",

year = "2008",

month = jan,

day = "1",

doi = "10.1016/j.ica.2007.07.002",

language = "Unknown",

volume = "361",

pages = "1192--1196",

journal = "Inorganica Chimica Acta",

issn = "0020-1693",

publisher = "Elsevier",

number = "4",

}

TY - JOUR

T1 - DFT study of the intrinsic conformations of 2Fe-2S-4(SCH3) (2-) clusters and their influence on exchange coupling

AU - Oliveira, Filipe Alexandre Ferreira Tiago de

PY - 2008/1/1

Y1 - 2008/1/1

KW - conformations

KW - Two-iron ferredoxins

KW - exchange coupling constants

KW - density functional theory

U2 - 10.1016/j.ica.2007.07.002

DO - 10.1016/j.ica.2007.07.002

M3 - Article

VL - 361

SP - 1192

EP - 1196

JO - Inorganica Chimica Acta

JF - Inorganica Chimica Acta

SN - 0020-1693

IS - 4

ER -