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	1.	Molecular modeling and infrared and Raman spectroscopy of the crystal structure of the chiral antiparasitic drug Praziquantel. [electronic resource] by Borrego-Sánchez, Ana Hernández-Laguna, Alfonso Sainz-Díaz, C Ignacio Producer: 20180911 In: Journal of molecular modeling vol. 23 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Theoretical study of the hydrogen bonding and infrared spectroscopy in the cis-vacant polymorph of dioctahedral 2:1 phyllosilicates. [electronic resource] by Escamilla-Roa, Elizabeth Hernández-Laguna, Alfonso Sainz-Díaz, C Ignacio Producer: 20151124 In: Journal of molecular modeling vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	DFT study of the mechanism of the reaction of aminoguanidine with methylglyoxal. [electronic resource] by Solís-Calero, Christian Ortega-Castro, Joaquín Hernández-Laguna, Alfonso Muñoz, Francisco Producer: 20141104 In: Journal of molecular modeling vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Vibrations of H+(D+) in stoichiometric LiNbO3 single crystal. [electronic resource] by Szalay, Viktor Lengyel, Krisztián Kovács, László Timón, Vicente Hernández-Laguna, Alfonso Producer: 20120215 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)
	5.	DFT research on the dehydroxylation reaction of pyrophyllite 2. Characterization of reactants, intermediates, and transition states along the reaction path. [electronic resource] by Molina-Montes, Esther Donadio, Davide Hernández-Laguna, Alfonso Sainz-Díaz, C Ignacio Producer: 20080828 In: The journal of physical chemistry. A vol. 112 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Exploring the rehydroxylation reaction of pyrophyllite by ab initio molecular dynamics. [electronic resource] by Molina-Montes, Esther Donadio, Davide Hernández-Laguna, Alfonso Sainz-Díaz, C Ignacio Producer: 20100909 In: The journal of physical chemistry. B vol. 114 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Influence of the alkyl and alkoxy side chains on the electronic structure and charge-transport properties of polythiophene derivatives. [electronic resource] by García, Gregorio Timón, Vicente Hernández-Laguna, Alfonso Navarro, Amparo Fernández-Gómez, Manuel Producer: 20110909 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)
	8.	A DFT study of the adsorption of glycine in the interlayer space of montmorillonite. [electronic resource] by Escamilla-Roa, Elizabeth Huertas, F Javier Hernández-Laguna, Alfonso Sainz-Díaz, C Ignacio Producer: 20180202 In: Physical chemistry chemical physics : PCCP vol. 19 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Theoretical study of the gas-phase thermolysis of 3-methyl-1,2,4,5-tetroxane. [electronic resource] by Profeta, Mariela Inés Romero, Jorge Marcelo Jorge, Nelly Lidia Grand, André Hernández-Laguna, Alfonso Producer: 20151019 In: Journal of molecular modeling vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	DFT research on the dehydroxylation reaction of pyrophyllite 1. First-principle molecular dynamics simulations. [electronic resource] by Molina-Montes, Esther Donadio, Davide Hernández-Laguna, Alfonso Sainz-Díaz, C Ignacio Parrinello, Michele 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)
	11.	A Tuned LRC-DFT Design of Ambipolar Diketopyrrolopyrrole-Containing Quinoidal Molecules Interesting for Molecular Electronics. [electronic resource] by García, Gregorio Granadino-Roldán, José M Hernández-Laguna, Alfonso Garzón, Andrés Fernández-Gómez, Manuel Producer: 20151124 In: Journal of chemical theory and computation vol. 9 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Theoretical study of the gas-phase thermolysis reaction of 3,6-dimethyl-1,2,4,5-tetroxane. Methyl and axial-equatorial substitution effects. [electronic resource] by Bordón, Alexander G Pila, Andrea N Profeta, Mariela I Romero, Jorge M Jorge, Lilian C Jorge, Nelly Lidia Sainz-Díaz, Claro Ignacio Grand, André Hernández-Laguna, Alfonso Publication details: Journal of molecular modeling Jul 2019 In: Journal of molecular modeling vol. 25 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Compressibility of 2M [electronic resource] by Hernández-Laguna, Alfonso Pérez Del Valle, Carlos Hernández-Haro, Noemí Ortega-Castro, Joaquín Muñoz-Santiburcio, Daniel Vidal, Isaac Sánchez-Navas, Antonio Escamilla-Roa, Elizabeth Sainz-Díaz, Claro Ignacio Producer: 20191113 In: Journal of molecular modeling vol. 25 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)