Maurel F - Search Results

1

Regio-defined amino[5]oxa- and thiahelicenes: a dramatic impact of the nature of the heteroatom on the helical shape and racemization barriers.

Pieters G, Gaucher A, Marque S, Maurel F, Lesot P, Prim D. Pieters G, et al. Among authors: maurel f. J Org Chem. 2010 Mar 19;75(6):2096-8. doi: 10.1021/jo1000127. J Org Chem. 2010. PMID: 20151709

2

New chiral cyclooctatriene-based polycyclic architectures.

Pieters G, Gaucher A, Marrot J, Maurel F, Naubron JV, Jean M, Vanthuyne N, Crassous J, Prim D. Pieters G, et al. Among authors: maurel f. Org Lett. 2011 Aug 19;13(16):4450-3. doi: 10.1021/ol201804h. Epub 2011 Jul 26. Org Lett. 2011. PMID: 21790150

3

The control of photochromism of [3H]-naphthopyran derivatives with intramolecular CH-π bonds.

Frigoli M, Maurel F, Berthet J, Delbaere S, Marrot J, Oliveira MM. Frigoli M, et al. Among authors: maurel f. Org Lett. 2012 Aug 17;14(16):4150-3. doi: 10.1021/ol301812e. Epub 2012 Jul 30. Org Lett. 2012. PMID: 22846037

4

Density functional theory study of the conformation and optical properties of hybrid Au(n)-dithienylethene systems (n = 3, 19, 25).

Fihey A, Kloss B, Perrier A, Maurel F. Fihey A, et al. Among authors: maurel f. J Phys Chem A. 2014 Jul 3;118(26):4695-706. doi: 10.1021/jp501542m. Epub 2014 Jun 20. J Phys Chem A. 2014. PMID: 24912128

5

SCC-DFTB parameters for simulating hybrid gold-thiolates compounds.

Fihey A, Hettich C, Touzeau J, Maurel F, Perrier A, Köhler C, Aradi B, Frauenheim T. Fihey A, et al. Among authors: maurel f. J Comput Chem. 2015 Oct 15;36(27):2075-87. doi: 10.1002/jcc.24046. Epub 2015 Aug 17. J Comput Chem. 2015. PMID: 26280464

6

Do inverse dithienylethenes behave as normal ones? A joint spectroscopic and theoretical investigation.

Aloïse S, Sliwa M, Buntinx G, Delbaere S, Perrier A, Maurel F, Jacquemin D, Takeshita M. Aloïse S, et al. Among authors: maurel f. Phys Chem Chem Phys. 2013 May 7;15(17):6226-34. doi: 10.1039/c3cp43806f. Phys Chem Chem Phys. 2013. PMID: 23515439

7

Is inhibition process better described with MD(QM/MM) simulations? The case of urokinase type plasminogen activator inhibitors.

Barbault F, Maurel F. Barbault F, et al. Among authors: maurel f. J Comput Chem. 2012 Mar 5;33(6):607-16. doi: 10.1002/jcc.21983. Epub 2012 Jan 13. J Comput Chem. 2012. PMID: 22241532

8

Quantum chemical study of the photocoloration reaction in the napthoxazine series.

Maurel F, Aubard J, Millie P, Dognon JP, Rajzmann M, Guglielmetti R, Samat A. Maurel F, et al. J Phys Chem A. 2006 Apr 13;110(14):4759-71. doi: 10.1021/jp054976f. J Phys Chem A. 2006. PMID: 16599444

9

Continuous irradiation and flash-photolysis studies of new[3H]naphtho[2,1-b]pyrans linked by covalent bonds to oligothiophene units. Effect of thiophene substituents on the photochromism.

Frigoli M, Pimienta V, Moustrou C, Samat A, Guglielmetti R, Aubard J, Maurel F, Micheau JC. Frigoli M, et al. Among authors: maurel f. Photochem Photobiol Sci. 2003 Aug;2(8):888-92. doi: 10.1039/b301999c. Photochem Photobiol Sci. 2003. PMID: 14521228

10

The excited state dipole moments of betaine pyridinium investigated by an innovative solvatochromic analysis and TDDFT calculations.

Pawlowska Z, Lietard A, Aloïse S, Sliwa M, Idrissi A, Poizat O, Buntinx G, Delbaere S, Perrier A, Maurel F, Jacques P, Abe J. Pawlowska Z, et al. Among authors: maurel f. Phys Chem Chem Phys. 2011 Aug 7;13(29):13185-95. doi: 10.1039/c1cp20920e. Epub 2011 Jun 22. Phys Chem Chem Phys. 2011. PMID: 21695327

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