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	1.	Theoretical 0-0 Energies with Chemical Accuracy. [electronic resource] by Loos, Pierre-François Galland, Nicolas Jacquemin, Denis Producer: 20180817 In: The journal of physical chemistry letters vol. 9 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Mapping of the interaction sites of galanthamine: a quantitative analysis through pairwise potentials and quantum chemistry. [electronic resource] by Galland, Nicolas Kone, Soleymane Le Questel, Jean-Yves Producer: 20130326 In: Journal of computer-aided molecular design vol. 26 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Rationalization of the solvation effects on the AtO+ ground-state change. [electronic resource] by Ayed, Tahra Réal, Florent Montavon, Gilles Galland, Nicolas Producer: 20140328 In: The journal of physical chemistry. B vol. 117 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	How does the solvation unveil AtO+ reactivity? [electronic resource] by Ayed, Tahra Seydou, Mahamadou Réal, Florent Montavon, Gilles Galland, Nicolas Producer: 20131126 In: The journal of physical chemistry. B vol. 117 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	On the Interplay between Charge-Shift Bonding and Halogen Bonding. [electronic resource] by Sarr, Serigne Graton, Jérôme Montavon, Gilles Pilmé, Julien Galland, Nicolas Publication details: Chemphyschem : a European journal of chemical physics and physical chemistry 02 2020 In: Chemphyschem : a European journal of chemical physics and physical chemistry vol. 21 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Introducing the ELF Topological Analysis in the Field of Quasirelativistic Quantum Calculations. [electronic resource] by Pilmé, Julien Renault, Eric Ayed, Tahra Montavon, Gilles Galland, Nicolas Producer: 20151130 In: Journal of chemical theory and computation vol. 8 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Electronic structures and geometries of the XF3 (X = Cl, Br, I, At) fluorides. [electronic resource] by Sergentu, Dumitru-Claudiu Amaouch, Mohamed Pilmé, Julien Galland, Nicolas Maurice, Rémi Producer: 20151208 In: The Journal of chemical physics vol. 143 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Unraveling the hydration-induced ground-state change of AtO [electronic resource] by Sergentu, Dumitru-Claudiu Réal, Florent Montavon, Gilles Galland, Nicolas Maurice, Rémi Producer: 20180130 In: Physical chemistry chemical physics : PCCP vol. 18 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Scrutinizing "Invisible" astatine: A challenge for modern density functionals. [electronic resource] by Sergentu, Dumitru-Claudiu David, Grégoire Montavon, Gilles Maurice, Rémi Galland, Nicolas Producer: 20180706 In: Journal of computational chemistry vol. 37 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Hydrogen-bonding properties of galanthamine: an investigation through crystallographic database observations and computational chemistry. [electronic resource] by Koné, Soleymane Galland, Nicolas Bamba, El Hadji Sawaliho Le Questel, Jean Yves Producer: 20080709 In: Acta crystallographica. Section B, Structural science vol. 64 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	QTAIM Analysis in the Context of Quasirelativistic Quantum Calculations. [electronic resource] by Pilmé, Julien Renault, Eric Bassal, Fadel Amaouch, Mohamed Montavon, Gilles Galland, Nicolas Producer: 20151222 In: Journal of chemical theory and computation vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Assessment of an effective quasirelativistic methodology designed to study astatine chemistry in aqueous solution. [electronic resource] by Champion, Julie Seydou, Mahamadou Sabatié-Gogova, Andrea Renault, Eric Montavon, Gilles Galland, Nicolas Producer: 20111202 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)
	13.	Non-thermal internal energy distribution of ions observed in an electrospray source interfaced with a sector mass spectrometer. [electronic resource] by Rondeau, David Galland, Nicolas Zins, Emilie-Laure Pepe, Claude Drahos, László Vékey, Károly Producer: 20110614 In: Journal of mass spectrometry : JMS vol. 46 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	The bonding picture in hypervalent XF [electronic resource] by Amaouch, Mohamed Sergentu, Dumitru-Claudiu Steinmetz, David Maurice, Rémi Galland, Nicolas Pilmé, Julien Publication details: Journal of computational chemistry 12 2017 In: Journal of computational chemistry vol. 38 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	Experimental and computational evidence of halogen bonds involving astatine. [electronic resource] by Guo, Ning Maurice, Rémi Teze, David Graton, Jérôme Champion, Julie Montavon, Gilles Galland, Nicolas Producer: 20190403 In: Nature chemistry vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	Towards a Stronger Halogen Bond Involving Astatine: Unexpected Adduct with Bu [electronic resource] by Liu, Lu Guo, Ning Champion, Julie Graton, Jérôme Montavon, Gilles Galland, Nicolas Maurice, Rémi Publication details: Chemistry (Weinheim an der Bergstrasse, Germany) Mar 2020 In: Chemistry (Weinheim an der Bergstrasse, Germany) vol. 26 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	Effective bond orders from two-step spin-orbit coupling approaches: the I2, At2, IO(+), and AtO(+) case studies. [electronic resource] by Maurice, Rémi Réal, Florent Gomes, André Severo Pereira Vallet, Valérie Montavon, Gilles Galland, Nicolas Producer: 20150511 In: The Journal of chemical physics vol. 142 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	Theoretical and experimental study of tropylium formation from substituted benzylpyridinium species. [electronic resource] by Zins, Emilie-Laure Pepe, Claude Rondeau, David Rochut, Sophie Galland, Nicolas Tabet, Jean-Claude Producer: 20090316 In: Journal of mass spectrometry : JMS vol. 44 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	Electronic structure investigation of the evanescent AtO(+) ion. [electronic resource] by Pereira Gomes, André Severo Réal, Florent Galland, Nicolas Angeli, Celestino Cimiraglia, Renzo Vallet, Valérie Producer: 20150416 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)
	20.	Spin-orbit coupling as a probe to decipher halogen bonding. [electronic resource] by Graton, Jérôme Rahali, Seyfeddine Le Questel, Jean-Yves Montavon, Gilles Pilmé, Julien Galland, Nicolas Producer: 20181217 In: Physical chemistry chemical physics : PCCP vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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Your search returned 34 results.