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List of works by Alfonso Hernández Laguna

A DFT study of the adsorption of glycine in the interlayer space of montmorillonite

scientific article published on 31 May 2017

A Tuned LRC-DFT Design of Ambipolar Diketopyrrolopyrrole-Containing Quinoidal Molecules Interesting for Molecular Electronics.

scientific article published on 8 May 2013

Compressibility of 2M1 muscovite-phlogopite series minerals

scientific article published on 12 November 2019

DFT research on the dehydroxylation reaction of pyrophyllite 2. Characterization of reactants, intermediates, and transition states along the reaction path.

scientific article published on 19 June 2008

DFT study of the mechanism of the reaction of aminoguanidine with methylglyoxal

2014 scientific article

Exploring the rehydroxylation reaction of pyrophyllite by ab initio molecular dynamics.

scientific article published in June 2010

Influence of the alkyl and alkoxy side chains on the electronic structure and charge-transport properties of polythiophene derivatives

scientific article published on 26 April 2011

Quantum mechanical calculations useful for determining the mechanism of action of fosfomycin

scientific article published on 01 September 1983

Quantum mechanical study and nuclear magnetic resonance measurements of some alpha-arylcarboxyalkyl acids as anti-inflammatory agents.

scientific article

Self-consistent field-molecular orbital (SCF-MO) calculations and nuclear magnetic resonance measurements for fosfomycin and related compounds

scientific article published on 01 September 1987

Theoretical study of the gas-phase thermolysis of 3-methyl-1,2,4,5-tetroxane

scientific article published on 22 May 2014

Theoretical study of the hydrogen bonding and infrared spectroscopy in the cis-vacant polymorph of dioctahedral 2:1 phyllosilicates

scientific article published on 22 August 2014

Theoretical study on the influence of the Mg2+ and Al3+ octahedral cations on the vibrational spectra of the hydroxy groups of dioctahedral 2:1 phyllosilicate models

scientific article published on 03 September 2014

Vibrations of H+(D+) in stoichiometric LiNbO3 single crystal.

scientific article published in September 2011

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