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	1.	Solvation and Aggregation of Meta-Aminobenzoic Acid in Water: Density Functional Theory and Molecular Dynamics Study. [electronic resource] by Gaines, Etienne Di Tommaso, Devis Publication details: Pharmaceutics Jan 2018 In: Pharmaceutics vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Branching ratio deviations from statistical behavior in core photoionization. [electronic resource] by Di Tommaso, Devis Decleva, Piero Producer: 20070215 In: The Journal of chemical physics vol. 123 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Density functional theory study of the oligomerization of carboxylic acids. [electronic resource] by Di Tommaso, Devis Watson, Ken L Producer: 20150710 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)
	4.	The onset of calcium carbonate nucleation: a density functional theory molecular dynamics and hybrid microsolvation/continuum study. [electronic resource] by Di Tommaso, Devis de Leeuw, Nora H Producer: 20080805 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)
	5.	Structure and dynamics of the hydrated magnesium ion and of the solvated magnesium carbonates: insights from first principles simulations. [electronic resource] by Di Tommaso, Devis de Leeuw, Nora H Producer: 20100409 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)
	6.	Accuracy of the microsolvation-continuum approach in computing the pK(a) and the free energies of formation of phosphate species in aqueous solution. [electronic resource] by Tang, Emilia Di Tommaso, Devis de Leeuw, Nora H Producer: 20110209 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)
	7.	Density functional theory simulations of the structure, stability and dynamics of iron sulphide clusters in water. [electronic resource] by Haider, Saima Di Tommaso, Devis de Leeuw, Nora H Producer: 20130903 In: Physical chemistry chemical physics : PCCP vol. 15 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Conformational effects on circular dichroism in the photoelectron angular distribution. [electronic resource] by Di Tommaso, Devis Stener, Mauro Fronzoni, Giovanna Decleva, Piero Producer: 20070816 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)
	9.	Hydrogen transfer and hydration properties of H(n)PO4(3-n) (n=0-3) in water studied by first principles molecular dynamics simulations. [electronic resource] by Tang, Emilia Di Tommaso, Devis de Leeuw, Nora H Producer: 20090921 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.	Simulations reveal the role of composition into the atomic-level flexibility of bioactive glass cements. [electronic resource] by Tian, Kun Viviana Chass, Gregory A Di Tommaso, Devis Producer: 20160919 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)
	11.	A density functional theory study of structural, mechanical and electronic properties of crystalline phosphorus pentoxide. [electronic resource] by Ainsworth, Richard I Di Tommaso, Devis de Leeuw, Nora H Producer: 20120425 In: The Journal of chemical physics vol. 135 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Modelling the structural evolution of ternary phosphate glasses from melts to solid amorphous materials. [electronic resource] by Di Tommaso, Devis Ainsworth, Richard I Tang, Emilia de Leeuw, Nora H Publication details: Journal of materials chemistry. B Oct 2013 In: Journal of materials chemistry. B vol. 1 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Polarizable force field development and molecular dynamics study of phosphate-based glasses. [electronic resource] by Ainsworth, Richard I Di Tommaso, Devis Christie, Jamieson K de Leeuw, Nora H Producer: 20130528 In: The Journal of chemical physics vol. 137 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	The effects of ligand variation on enantioselective hydrogenation catalysed by RuH2(diphosphine)(diamine) complexes. [electronic resource] by Chen, Hsin-Yi Tiffany Di Tommaso, Devis Hogarth, Graeme Catlow, C Richard A Producer: 20120508 In: Dalton transactions (Cambridge, England : 2003) vol. 41 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	Nanoscale chains control the solubility of phosphate glasses for biomedical applications. [electronic resource] by Christie, Jamieson K Ainsworth, Richard I Di Tommaso, Devis de Leeuw, Nora H 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)
	16.	trans-Fe(II)(H)2(diphosphine)(diamine) complexes as alternative catalysts for the asymmetric hydrogenation of ketones? A DFT study. [electronic resource] by Chen, Hsin-Yi Tiffany Di Tommaso, Devis Hogarth, Graeme Catlow, C Richard A Producer: 20110406 In: Dalton transactions (Cambridge, England : 2003) vol. 40 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	Detection of Posner's clusters during calcium phosphate nucleation: a molecular dynamics study. [electronic resource] by Mancardi, Giulia Hernandez Tamargo, Carlos Ernesto Di Tommaso, Devis de Leeuw, Nora H Publication details: Journal of materials chemistry. B Sep 2017 In: Journal of materials chemistry. B vol. 5 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	Modelling the effects of salt solutions on the hydration of calcium ions. [electronic resource] by Di Tommaso, Devis Ruiz-Agudo, Encarnación de Leeuw, Nora H Putnis, Andrew Putnis, Christine V 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)
	19.	New insights into the enantioselectivity in the hydrogenation of prochiral ketones. [electronic resource] by French, Samuel A Di Tommaso, Devis Zanotti-Gerosa, Antonio Hancock, Fred Catlow, C Richard A Producer: 20071025 In: Chemical communications (Cambridge, England) no. 23 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	20.	Prediction of self-assembly of adenosine analogues in solution: a computational approach validated by isothermal titration calorimetry. [electronic resource] by Redivo, Luca Anastasiadi, Rozalia-Maria Pividori, Marco Berti, Federico Peressi, Maria Di Tommaso, Devis Resmini, Marina Producer: 20191003 In: Physical chemistry chemical physics : PCCP vol. 21 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 27 results.