Your search returned 56 results.

Results
	1.	Simulation with quantum mechanics/molecular mechanics for drug discovery. [electronic resource] by Barbault, Florent Maurel, François Producer: 20160505 In: Expert opinion on drug discovery vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Is inhibition process better described with MD(QM/MM) simulations? The case of urokinase type plasminogen activator inhibitors. [electronic resource] by Barbault, Florent Maurel, François Producer: 20120529 In: Journal of computational chemistry vol. 33 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Diarylethene-dihydroazulene multimode photochrome: a theoretical spectroscopic investigation. [electronic resource] by Perrier, Aurélie Maurel, François Jacquemin, Denis Producer: 20111118 In: Physical chemistry chemical physics : PCCP vol. 13 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Theoretical study of the electronic and optical properties of photochromic dithienylethene derivatives connected to small gold clusters. [electronic resource] by Perrier, Aurélie Maurel, François Aubard, Jean Producer: 20071127 In: The journal of physical chemistry. A vol. 111 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Single molecule multiphotochromism with diarylethenes. [electronic resource] by Perrier, Aurélie Maurel, François Jacquemin, Denis Producer: 20130307 In: Accounts of chemical research vol. 45 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	A DFT study of a new class of gold nanocluster-photochrome multi-functional switches. [electronic resource] by Fihey, Arnaud Maurel, François Perrier, Aurélie Producer: 20150511 In: Physical chemistry chemical physics : PCCP vol. 16 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	TD-DFT investigation of diarylethene dyes with cyclopentene, dihydrothiophene, and dihydropyrrole bridges. [electronic resource] by Perpète, Eric A Maurel, François Jacquemin, Denis Producer: 20070827 In: The journal of physical chemistry. A vol. 111 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Association of symmetrical alkane diols with pyridine: DFT/GIAO calculation of [electronic resource] by Lomas, John S Joubert, Laurent Maurel, François Publication details: Magnetic resonance in chemistry : MRC Oct 2016 In: Magnetic resonance in chemistry : MRC vol. 54 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Density functional theory study of the conformation and optical properties of hybrid Au(n)-dithienylethene systems (n = 3, 19, 25). [electronic resource] by Fihey, Arnaud Kloss, Benedikt Perrier, Aurélie Maurel, François Producer: 20150515 In: The journal of physical chemistry. A vol. 118 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Substituent effects on the photochromic properties of benzothiophene-based derivatives. [electronic resource] by Galangau, Olivier Nakashima, Takuyama Maurel, François Kawai, Tsuyoshi Producer: 20160208 In: Chemistry (Weinheim an der Bergstrasse, Germany) vol. 21 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Supramolecular chiral host-guest nanoarchitecture induced by the selective assembly of barbituric acid derivative enantiomers. [electronic resource] by Sun, Xiaonan Silly, Fabien Maurel, Francois Dong, Changzhi Producer: 20180718 In: Nanotechnology vol. 27 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	2D and 3D QSAR studies of diarylpyrimidine HIV-1 reverse transcriptase inhibitors. [electronic resource] by Rebehmed, Joseph Barbault, Florent Teixeira, Cátia Maurel, François Producer: 20081204 In: Journal of computer-aided molecular design vol. 22 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	TD-DFT simulations of the electronic properties of star-shaped photochromes. [electronic resource] by Jacquemin, Denis Perpète, Eric A Maurel, François Perrier, Aurélie Producer: 20101008 In: Physical chemistry chemical physics : PCCP vol. 12 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	Full ring closing in a diarylethene hexamer: insights from theory. [electronic resource] by Perrier, Aurélie Maurel, François Browne, Wesley R Jacquemin, Denis Producer: 20131023 In: Chemical communications (Cambridge, England) vol. 49 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	Hybrid dithienylethene-naphthopyran multi-addressable photochromes: an ab initio analysis. [electronic resource] by Jacquemin, Denis Perpète, Eric A Maurel, François Perrier, Aurélie Producer: 20110126 In: Physical chemistry chemical physics : PCCP vol. 12 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	Molecular dynamics simulations of 2-amino-6-arylsulphonylbenzonitriles analogues as HIV inhibitors: interaction modes and binding free energies. [electronic resource] by Hu, Rongjing Barbault, Florent Maurel, François Delamar, Michel Zhang, Ruisheng Producer: 20110418 In: Chemical biology & drug design vol. 76 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	Intramolecular Path Determination of Active Electrons on Push-Pull Oligocarbazole Dyes-Sensitized Solar Cells. [electronic resource] by Trabelsi, Salma Kouki, Nouha Seydou, Mahamadou Maurel, François Tangour, Bahoueddine Publication details: ChemistryOpen May 2019 In: ChemistryOpen vol. 8 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	Spectral properties of spirooxazine photochromes: TD-DFT insights. [electronic resource] by Perrier, Aurélie Maurel, François Perpète, Eric A Wathelet, Valérie Jacquemin, Denis Producer: 20100212 In: The journal of physical chemistry. A vol. 113 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	Photoinduced Electron Transfer (PET)-Mediated Fragmentation of Picolinium-Derived Redox Probes. [electronic resource] by Dunkel, Petra Barosi, Anna Dhimane, Hamid Maurel, François Dalko, Peter I Producer: 20180905 In: Chemistry (Weinheim an der Bergstrasse, Germany) vol. 24 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	20.	Intrachain electron transfer in conducting oligomers and polymers: the mixed valence approach. [electronic resource] by Lacroix, Jean Christophe Chane-Ching, Kathleen Isabelle Maquère, Fabrice Maurel, François Producer: 20070724 In: Journal of the American Chemical Society vol. 128 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

1
2
3
Next
Last

Refine your search

Availability

Authors

Topics

Languages

Your search returned 56 results.