The role of exchange in systematic DFT errors for some organic reactions

David R B Brittain, Ching Yeh Lin, Andrew Gilbert, Ekaterina Pas, Peter M W Gill, Michelle L Coote

Research output: Contribution to journal › Article › Research › peer-review

Original language	English
Pages (from-to)	1138 - 1142
Number of pages	5
Journal	Physical Chemistry Chemical Physics
Volume	11
Publication status	Published - 2009

Cite this

@article{e0f1387d27f54dcc9e15d7039d407169,

title = "The role of exchange in systematic DFT errors for some organic reactions",

author = "Brittain, {David R B} and Lin, {Ching Yeh} and Andrew Gilbert and Ekaterina Pas and Gill, {Peter M W} and Coote, {Michelle L}",

year = "2009",

language = "English",

volume = "11",

pages = "1138 -- 1142",

journal = "Physical Chemistry Chemical Physics",

issn = "1463-9076",

publisher = "The Royal Society of Chemistry",

}

TY - JOUR

T1 - The role of exchange in systematic DFT errors for some organic reactions

AU - Brittain, David R B

AU - Lin, Ching Yeh

AU - Gilbert, Andrew

AU - Pas, Ekaterina

AU - Gill, Peter M W

AU - Coote, Michelle L

PY - 2009

Y1 - 2009

UR - http://www.rsc.org/ej/CP/2009/b818412g.pdf

M3 - Article

SN - 1463-9076

VL - 11

SP - 1138

EP - 1142

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

ER -