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	1.	Calculated magnetic properties for the characterization of zeolite active sites. [electronic resource] by Goursot, Annick Berthomieu, Dorothée Producer: 20050414 In: Magnetic resonance in chemistry : MRC vol. 42 Spec no Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Comparative density functional theory study of the binding of ligands to Cu+ and Cu2+: Influence of the coordination and oxidation state. [electronic resource] by Ducéré, Jean-Marie Goursot, Annick Berthomieu, Dorothée Producer: 20070620 In: The journal of physical chemistry. A vol. 109 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Interaction between n-Alkane Chains: Applicability of the Empirically Corrected Density Functional Theory for Van der Waals Complexes. [electronic resource] by Goursot, Annick Mineva, Tzonka Kevorkyants, Ruslan Talbi, Dahbia Producer: 20151203 In: Journal of chemical theory and computation vol. 3 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Structural, electronic, and bonding properties of zeolite Sn-beta: a periodic density functional theory study. [electronic resource] by Shetty, Sharan Pal, Sourav Kanhere, Dilip G Goursot, Annick Producer: 20070730 In: Chemistry (Weinheim an der Bergstrasse, Germany) vol. 12 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Theoretical study of N2O reduction by CO in Fe-BEA Zeolite. [electronic resource] by Fischer, Gerd Goursot, Annick Coq, Bernard Delahay, Gérard Pal, Sourav Producer: 20070712 In: Chemphyschem : a European journal of chemical physics and physical chemistry vol. 7 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Theoretical study of Cu(I)Y zeolite: structure and electronic properties. [electronic resource] by Jardillier, Nicolas Berthomieu, Dorothée Goursot, Annick Reveles, J Ulises Köster, Andreas M Producer: 20070817 In: The journal of physical chemistry. B vol. 110 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	A comparative study of structural, acidic and hydrophilic properties of Sn-BEA with Ti-BEA using periodic density functional theory. [electronic resource] by Shetty, Sharan Kulkarni, Bhakti S Kanhere, Dilip G Goursot, Annick Pal, Sourav Producer: 20080424 In: The journal of physical chemistry. B vol. 112 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Selective catalytic reduction of NO by NH3 on Cu-faujasite catalysts: an experimental and quantum chemical approach. [electronic resource] by Delahay, Gérard Villagomez, Enrique Ayala Ducere, Jean-Marie Berthomieu, Dorothée Goursot, Annick Coq, Bernard Producer: 20030121 In: Chemphyschem : a European journal of chemical physics and physical chemistry vol. 3 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Correction for dispersion and Coulombic interactions in molecular clusters with density functional derived methods: application to polycyclic aromatic hydrocarbon clusters. [electronic resource] by Rapacioli, Mathias Spiegelman, Fernand Talbi, Dahbia Mineva, Tzonka Goursot, Annick Heine, Thomas Seifert, Gotthard Producer: 20091002 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.	Insights into the oxygen-based ligand of the low pH component of the Cu(2+)-amyloid-β complex. [electronic resource] by Gomez-Castro, Carlos Z Vela, Alberto Quintanar, Liliana Grande-Aztatzi, Rafael Mineva, Tzonka Goursot, Annick Producer: 20150512 In: The journal of physical chemistry. B vol. 118 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Lipid thermodynamics: melting is molecular. [electronic resource] by Krishnamurty, Sailaja Stefanov, Milen Mineva, Tzonka Bégu, Sylvie Devoisselle, Jean Marie Goursot, Annick Zhu, Rui Salahub, Dennis R Producer: 20081231 In: Chemphyschem : a European journal of chemical physics and physical chemistry vol. 9 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Investigation of the interface in silica-encapsulated liposomes by combining solid state NMR and first principles calculations. [electronic resource] by Folliet, Nicolas Roiland, Claire Bégu, Sylvie Aubert, Anne Mineva, Tzonka Goursot, Annick Selvaraj, Kaliaperumal Duma, Luminita Tielens, Frederik Mauri, Francesco Laurent, Guillaume Bonhomme, Christian Gervais, Christel Babonneau, Florence Azaïs, Thierry Producer: 20120217 In: Journal of the American Chemical Society vol. 133 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	QM/MM calculations with deMon2k. [electronic resource] by Salahub, Dennis R Noskov, Sergei Yu Lev, Bogdan Zhang, Rui Ngo, Van Goursot, Annick Calaminici, Patrizia Köster, Andreas M Alvarez-Ibarra, Aurelio Mejía-Rodríguez, Daniel Řezáč, Jan Cailliez, Fabien de la Lande, Aurélien Producer: 20151123 In: Molecules (Basel, Switzerland) vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)