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	1.	DFT calculations of EPR parameters in an ionic lattice of [M(CN)4](3-) (M = Ni, Pd, Fe, Ru, Os) complexes. [electronic resource] by Esteves, Marcos C Vugman, Ney V Leitão, Alexandre A Bielschowsky, Carlos E Producer: 20071011 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)
	2.	Thermally activated surface oxygen defects at the perimeter of Au/TiO2: a DFT+U study. [electronic resource] by Saqlain, Muhammad Adnan Hussain, Akhtar Siddiq, Mohammad Ferreira, Ary R Leitão, Alexandre A Producer: 20151209 In: Physical chemistry chemical physics : PCCP vol. 17 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Theoretical study of the reaction between HF molecules and hydroxyl layers of Mg(OH)2. [electronic resource] by Vaiss, Viviane S Berg, Rafael A Ferreira, Ary R Borges, Itamar Leitão, Alexandre A Producer: 20090625 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)
	4.	Ab initio simulation of changes in geometry, electronic structure, and Gibbs free energy caused by dehydration of hydrotalcites containing Cl⁻ and CO₃²⁻ counteranions. [electronic resource] by Costa, Deyse G Rocha, Alexandre B Souza, Wladmir F Chiaro, Sandra Shirley X Leitão, Alexandre A Producer: 20110719 In: The journal of physical chemistry. B vol. 115 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Synthesis of glycerol carbonate over a 2D coordination polymer built with Nd [electronic resource] by Franco, Chris H J Chagas, Poliane Caldeira, Gabriela S Oliveira, Luiz C A de Souza, Patterson P Leitão, Alexandre A Amarante, Giovanni W Diniz, Renata Producer: 20180814 In: Dalton transactions (Cambridge, England : 2003) vol. 47 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Solid-state experimental and theoretical investigation of the ammonium salt of croconate violet, a pseudo-oxocarbon ion. [electronic resource] by De Abreu, Heitor A Júnior, Antonio L S Leitão, Alexandre A De Sá, Lívian R V Ribeiro, Mauro C C Diniz, Renata de Oliveira, Luiz Fernando C Producer: 20090625 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)
	7.	Combining Nuclear Magnetic Resonance Spectroscopy and Density Functional Theory Calculations to Characterize Carvedilol Polymorphs. [electronic resource] by Rezende, Carlos A San Gil, Rosane A S Borré, Leandro B Pires, José Ricardo Vaiss, Viviane S Resende, Jackson A L C Leitão, Alexandre A De Alencastro, Ricardo B Leal, Katia Z Producer: 20171121 In: Journal of pharmaceutical sciences vol. 105 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	DFT calculations for structural prediction and applications of intercalated lamellar compounds. [electronic resource] by Tavares, Sérgio R Vaiss, Viviane S Antunes, Florence P Novais Fonseca, Carla G Nangoi, Inna M Moraes, Pedro Ivo R Soares, Carla V Haddad, Juliana F S Lima, Larissa L Silva, Bruna N N Leitão, Alexandre A Producer: 20180323 In: Dalton transactions (Cambridge, England : 2003) vol. 47 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)