Philippe dAntuono
Overview
Explore the profile of Philippe dAntuono including associated specialties, affiliations and a list of published articles.
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Articles
4
Citations
7
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Recent Articles
1.
Botek E, dAntuono P, Jacques A, Carion R, Champagne B, Maton L, et al.
Phys Chem Chem Phys
. 2010 Oct;
12(42):14172-87.
PMID: 20882231
A joint theoretical-experimental investigation has been carried out to unravel the details of the complexation of cations by fluoroionophores based on coumarin 343 and to interpret the modifications in the...
2.
dAntuono P, Botek E, Champagne B, Wieme J, Reyniers M, Marin G, et al.
J Phys Chem B
. 2008 Nov;
112(47):14804-18.
PMID: 18975894
1H and 13C chemical shifts of PVC chains have been evaluated using quantum chemistry methods in order to evidence and interpret the NMR signatures of chains bearing unsaturated and branched...
3.
dAntuono P, Botek E, Champagne B, Spassova M, Denkova P
J Chem Phys
. 2006 Oct;
125(14):144309.
PMID: 17042592
Using density functional theory (DFT) with the B3LYP, PBE, and PBE0 exchange-correlation functionals as well as the Moller-Plesset second-order perturbation theory (MP2) combined with a series of rather extended basis...
4.
dAntuono P, Fritsch A, Ducasse L, Castet F, James P, Landais Y
J Phys Chem A
. 2006 Mar;
110(10):3714-22.
PMID: 16526655
Free radical-mediated 5-exo-trig cyclizations of hepta-1,6-dienes incorporating allylsilane, alkyl and alkoxy analogues are modeled using correlated ab initio calculations. The structural, electronic and thermochemical properties of reactants, products and transition...