Ab initio
static and molecular dynamics study of 4-styrylpyridine: Structure, energy and reactivity of the
cis
and
trans
isomers in the ground state
L.M. Lawson Daku
, J. Linares and M.-L. Boillot
ChemPhysChem
,
8
(9) (2007), p1402-1416
Keywords:
ab initio calculations
•
density functional calculations
•
isomerization
•
molecular dynamics
•
transition states
DOI:
10.1002/cphc.200700117
|
unige:3195
|
Abstract
|
Article HTML
|
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Ruthenium(II) as a Novel "Labile" Partner in Thermodynamic Self-Assembly of Heterobimetallic d-f Triple-Stranded Helicates
S. Torelli, S. Delahaye,
A. Hauser
, G. Bernardinelli and C. Piguet
Chemistry - A European Journal
,
10
(14) (2004), p3503-3516
Keywords:
helical structures
•
isomerization
•
lanthanides
•
ruthenium
•
self-assembly
DOI:
10.1002/chem.200400092
|
unige:3258
|
Abstract
|
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|
Article PDF
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Last update Wednesday June 12 2013