Your search returned 11 results.

Results
	1.	Elucidation of the electrochemical activation of water over Pd by first principles. [electronic resource] by Filhol, Jean-Sébastien Neurock, Matthew Producer: 20061106 In: Angewandte Chemie (International ed. in English) vol. 45 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Using Implicit Solvent in Ab Initio Electrochemical Modeling: Investigating Li⁺/Li Electrochemistry at a Li/Solvent Interface. [electronic resource] by Lespes, Nicolas Filhol, Jean-Sébastien Producer: 20160310 In: Journal of chemical theory and computation vol. 11 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Modeling interfacial electrochemistry: concepts and tools. [electronic resource] by Kopač Lautar, Anja Hagopian, Arthur Filhol, Jean-Sébastien Publication details: Physical chemistry chemical physics : PCCP May 2020 In: Physical chemistry chemical physics : PCCP vol. 22 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Prediction of pK [electronic resource] by Giard, Aude Filhol, Jean-Sébastien Jolibois, Franck Cavelier, Florine Berthomieu, Dorothée Producer: 20180206 In: Journal of chemical theory and computation vol. 12 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Modeling the HCOOH/CO2 Electrocatalytic Reaction: When Details Are Key. [electronic resource] by Steinmann, Stephan N Michel, Carine Schwiedernoch, Renate Filhol, Jean-Sebastien Sautet, Philippe Producer: 20151002 In: Chemphyschem : a European journal of chemical physics and physical chemistry vol. 16 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Electrolyte Reactivity in the Double Layer in Mg Batteries: An Interface Potential-Dependent DFT Study. [electronic resource] by Kopač Lautar, Anja Bitenc, Jan Rejec, Tomaž Dominko, Robert Filhol, Jean-Sébastien Doublet, Marie-Liesse Publication details: Journal of the American Chemical Society Mar 2020 In: Journal of the American Chemical Society vol. 142 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Polymorphs and colors of polydiacetylenes: a first principles study. [electronic resource] by Filhol, Jean-Sébastien Deschamps, Jérôme Dutremez, Sylvain G Boury, Bruno Barisien, Thierry Legrand, Laurent Schott, Michel Producer: 20090701 In: Journal of the American Chemical Society vol. 131 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	New p-type Al-substituted SrSnO [electronic resource] by Ben Amor, Leila Belgacem, Besma Filhol, Jean-Sébastien Doublet, Marie-Liesse Ben Yahia, Mouna Ben Hassen, Rached Publication details: Chemical communications (Cambridge, England) Feb 2020 In: Chemical communications (Cambridge, England) vol. 56 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Updated references for the structural, electronic, and vibrational properties of TiO2(B) bulk using first-principles density functional theory calculations. [electronic resource] by Ben Yahia, Mouna Lemoigno, Frédéric Beuvier, Thomas Filhol, Jean-Sébastien Richard-Plouet, Mireille Brohan, Luc Doublet, Marie-Liesse Producer: 20090928 In: The Journal of chemical physics vol. 130 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion. [electronic resource] by van der Lee, Arie Roche, Gilles H Wantz, Guillaume Moreau, Joël J E Dautel, Olivier J Filhol, Jean-Sébastien Publication details: Chemical science Apr 2018 In: Chemical science vol. 9 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Joint Experimental and Computational Investigation of the Flexibility of a Diacetylene-Based Mixed-Linker MOF: Revealing the Existence of Two Low-Temperature Phase Transitions and the Presence of Colossal Positive and Giant Negative Thermal Expansions. [electronic resource] by Duarte Rodrigues, Alysson Fahsi, Karim Dumail, Xavier Masquelez, Nathalie van der Lee, Arie Mallet-Ladeira, Sonia Sibille, Romain Filhol, Jean-Sébastien Dutremez, Sylvain G Producer: 20180307 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)