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Full Record Details
Persistent URL
http://purl.org/net/epubs/work/66495
Record Status
Checked
Record Id
66495
Title
A frontier orbital study with ab initio molecular dynamics of the effects of solvation on chemical reactivity: Solvent-induced orbital control in FeO-activated hydroxylation reactions
Contributors
L Bernasconi (STFC Rutherford Appleton Lab.)
,
EJ Baerends (Vrije Universiteit Amsterdam)
Abstract
Organisation
CSE-CMSG
,
STFC
,
SCI-COMP
Keywords
Chemistry
Funding Information
Related Research Object(s):
Licence Information:
Language
English (EN)
Type
Details
URI(s)
Local file(s)
Year
Journal Article
J Am Chem Soc
135, no. 24 (2013): 8857-8867.
10.1021/ja311144d
2013
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